5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane

C177H281N27 — CID 163621832

IUPAC5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane
SMILESC.C.C.C.C.C.C.C.CCCCCc1cc2c(-c3ccc(CN)cc3)cccc2nc1N.CCCCCc1cc2c(CCCCCCN)cccc2nc1N.CCCCCc1cc2c(CCCCCN)cccc2nc1N.CCCCCc1cc2c(CCCCN)cccc2nc1N.CCCCCc1cc2c(CCCN)cccc2nc1N.CCCCCc1cc2cc(CCCCCN)ccc2nc1N.CCCCCc1cc2cc(CCCCN)ccc2nc1N.CCCCCc1cc2ccc(CCCCCN)cc2nc1N.CCCCCc1cc2ccc(CCCCN)cc2nc1N
InChIInChI=1S/C21H25N3.C20H31N3.3C19H29N3.3C18H27N3.C17H25N3.8CH4/c1-2-3-4-6-17-13-19-18(7-5-8-20(19)24-21(17)23)16-11-9-15(14-22)10-12-16;1-2-3-6-11-17-15-18-16(10-7-4-5-8-14-21)12-9-13-19(18)23-20(17)22;1-2-3-5-10-16-14-17-15(9-6-4-7-13-20)11-8-12-18(17)22-19(16)21;1-2-3-5-9-17-14-16-11-10-15(8-6-4-7-12-20)13-18(16)22-19(17)21;1-2-3-5-9-16-14-17-13-15(8-6-4-7-12-20)10-11-18(17)22-19(16)21;1-2-3-4-9-15-13-16-14(8-5-6-12-19)10-7-11-17(16)21-18(15)20;1-2-3-4-8-16-13-15-10-9-14(7-5-6-11-19)12-17(15)21-18(16)20;1-2-3-4-8-15-13-16-12-14(7-5-6-11-19)9-10-17(16)21-18(15)20;1-2-3-4-7-14-12-15-13(9-6-11-18)8-5-10-16(15)20-17(14)19;;;;;;;;/h5,7-13H,2-4,6,14,22H2,1H3,(H2,23,24);9,12-13,15H,2-8,10-11,14,21H2,1H3,(H2,22,23);8,11-12,14H,2-7,9-10,13,20H2,1H3,(H2,21,22);2*10-11,13-14H,2-9,12,20H2,1H3,(H2,21,22);7,10-11,13H,2-6,8-9,12,19H2,1H3,(H2,20,21);2*9-10,12-13H,2-8,11,19H2,1H3,(H2,20,21);5,8,10,12H,2-4,6-7,9,11,18H2,1H3,(H2,19,20);8*1H4
InChIKeyHOTIOBWOEJWYKF-UHFFFAOYSA-N
MW2787.38 g/mol
LogP41.97
Rot. Bonds74

About 5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane

5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane (PubChem CID 163621832) has the molecular formula C177H281N27 and a molecular weight of 2787.38 g/mol. Its IUPAC name is 5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane.

Molecular Properties

Compound Name5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane
PubChem CID163621832
Molecular FormulaC177H281N27
Molecular Weight2787.38 g/mol
Exact Mass2785.28
IUPAC Name5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane
SMILESC.C.C.C.C.C.C.C.CCCCCc1cc2c(-c3ccc(CN)cc3)cccc2nc1N.CCCCCc1cc2c(CCCCCCN)cccc2nc1N.CCCCCc1cc2c(CCCCCN)cccc2nc1N.CCCCCc1cc2c(CCCCN)cccc2nc1N.CCCCCc1cc2c(CCCN)cccc2nc1N.CCCCCc1cc2cc(CCCCCN)ccc2nc1N.CCCCCc1cc2cc(CCCCN)ccc2nc1N.CCCCCc1cc2ccc(CCCCCN)cc2nc1N.CCCCCc1cc2ccc(CCCCN)cc2nc1N
InChIInChI=1S/C21H25N3.C20H31N3.3C19H29N3.3C18H27N3.C17H25N3.8CH4/c1-2-3-4-6-17-13-19-18(7-5-8-20(19)24-21(17)23)16-11-9-15(14-22)10-12-16;1-2-3-6-11-17-15-18-16(10-7-4-5-8-14-21)12-9-13-19(18)23-20(17)22;1-2-3-5-10-16-14-17-15(9-6-4-7-13-20)11-8-12-18(17)22-19(16)21;1-2-3-5-9-17-14-16-11-10-15(8-6-4-7-12-20)13-18(16)22-19(17)21;1-2-3-5-9-16-14-17-13-15(8-6-4-7-12-20)10-11-18(17)22-19(16)21;1-2-3-4-9-15-13-16-14(8-5-6-12-19)10-7-11-17(16)21-18(15)20;1-2-3-4-8-16-13-15-10-9-14(7-5-6-11-19)12-17(15)21-18(16)20;1-2-3-4-8-15-13-16-12-14(7-5-6-11-19)9-10-17(16)21-18(15)20;1-2-3-4-7-14-12-15-13(9-6-11-18)8-5-10-16(15)20-17(14)19;;;;;;;;/h5,7-13H,2-4,6,14,22H2,1H3,(H2,23,24);9,12-13,15H,2-8,10-11,14,21H2,1H3,(H2,22,23);8,11-12,14H,2-7,9-10,13,20H2,1H3,(H2,21,22);2*10-11,13-14H,2-9,12,20H2,1H3,(H2,21,22);7,10-11,13H,2-6,8-9,12,19H2,1H3,(H2,20,21);2*9-10,12-13H,2-8,11,19H2,1H3,(H2,20,21);5,8,10,12H,2-4,6-7,9,11,18H2,1H3,(H2,19,20);8*1H4
InChIKeyHOTIOBWOEJWYKF-UHFFFAOYSA-N
XLogP41.97
TPSA584.37 Ų
H-Bond Donors18
H-Bond Acceptors27
Rotatable Bonds74
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002787.38
LogP ≤ 541.97
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-amino-3-pentylquinolin-5-yl)benzonitrile
CID 126622236
5-benzyl-3-pentylquinolin-2-amine
CID 122192094
3-octylquinolin-2-amine
CID 23131231
5-[[2-(aminomethyl)phenyl]methyl]-3-pentylquinolin-2-amine;5-[3-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;4-(2-amino-3-pentylquinolin-5-yl)butanamide;3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide;5-benzyl-3-pentylquinolin-2-amine
CID 162221430
1-octadecylacridine
CID 87175858
5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine
CID 126656197
1-hexadecylacridine;hydrochloride
CID 172754650
3-hexylacridine
CID 21394642
[4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine
CID 150718553
1,7-di(nonyl)naphthalene
CID 173372724
18-ethyl-7-hexyl-2,11,15-triazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 59467624
3-(7-propylnaphthalen-1-yl)propan-1-amine
CID 19086002

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane?
The IUPAC name of 5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane (CID 163621832) is 5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane.
What is the SMILES notation for 5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane?
The canonical SMILES for 5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane is C.C.C.C.C.C.C.C.CCCCCc1cc2c(-c3ccc(CN)cc3)cccc2nc1N.CCCCCc1cc2c(CCCCCCN)cccc2nc1N.CCCCCc1cc2c(CCCCCN)cccc2nc1N.CCCCCc1cc2c(CCCCN)cccc2nc1N.CCCCCc1cc2c(CCCN)cccc2nc1N.CCCCCc1cc2cc(CCCCCN)ccc2nc1N.CCCCCc1cc2cc(CCCCN)ccc2nc1N.CCCCCc1cc2ccc(CCCCCN)cc2nc1N.CCCCCc1cc2ccc(CCCCN)cc2nc1N.
What is the InChIKey of 5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane?
The InChIKey is HOTIOBWOEJWYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3.C20H31N3.3C19H29N3.3C18H27N3.C17H25N3.8CH4/c1-2-3-4-6-17-13-19-18(7-5-8-20(19)24-21(17)23)16-11-9-15(14-22)10-12-16;1-2-3-6-11-17-15-18-16(10-7-4-5-8-14-21)12-9-13-19(18)23-20(17)22;1-2-3-5-10-16-14-17-15(9-6-4-7-13-20)11-8-12-18(17)22-19(16)21;1-2-3-5-9-17-14-16-11-10-15(8-6-4-7-12-20)13-18(16)22-19(17)21;1-2-3-5-9-16-14-17-13-15(8-6-4-7-12-20)10-11-18(17)22-19(16)21;1-2-3-4-9-15-13-16-14(8-5-6-12-19)10-7-11-17(16)21-18(15)20;1-2-3-4-8-16-13-15-10-9-14(7-5-6-11-19)12-17(15)21-18(16)20;1-2-3-4-8-15-13-16-12-14(7-5-6-11-19)9-10-17(16)21-18(15)20;1-2-3-4-7-14-12-15-13(9-6-11-18)8-5-10-16(15)20-17(14)19;;;;;;;;/h5,7-13H,2-4,6,14,22H2,1H3,(H2,23,24);9,12-13,15H,2-8,10-11,14,21H2,1H3,(H2,22,23);8,11-12,14H,2-7,9-10,13,20H2,1H3,(H2,21,22);2*10-11,13-14H,2-9,12,20H2,1H3,(H2,21,22);7,10-11,13H,2-6,8-9,12,19H2,1H3,(H2,20,21);2*9-10,12-13H,2-8,11,19H2,1H3,(H2,20,21);5,8,10,12H,2-4,6-7,9,11,18H2,1H3,(H2,19,20);8*1H4.
What are the key properties of 5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane?
5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane has a molecular weight of 2787.38 g/mol, XLogP of 41.97, 74 rotatable bonds, 18 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane is sourced from PubChem (CID 163621832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).