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

C104H126N14O2 — CID 162221430

IUPAC5-[[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
SMILESCCCCCc1cc2c(-c3cccc(CN)c3)cccc2nc1N.CCCCCc1cc2c(CCCC(N)=O)cccc2nc1N.CCCCCc1cc2c(Cc3cccc(C(N)=O)c3)cccc2nc1N.CCCCCc1cc2c(Cc3ccccc3)cccc2nc1N.CCCCCc1cc2c(Cc3ccccc3CN)cccc2nc1N
InChIInChI=1S/C22H25N3O.C22H27N3.C21H25N3.C21H24N2.C18H25N3O/c1-2-3-4-8-17-14-19-16(9-6-11-20(19)25-21(17)23)12-15-7-5-10-18(13-15)22(24)26;1-2-3-4-9-18-14-20-17(11-7-12-21(20)25-22(18)24)13-16-8-5-6-10-19(16)15-23;1-2-3-4-8-17-13-19-18(10-6-11-20(19)24-21(17)23)16-9-5-7-15(12-16)14-22;1-2-3-5-11-18-15-19-17(14-16-9-6-4-7-10-16)12-8-13-20(19)23-21(18)22;1-2-3-4-7-14-12-15-13(9-6-11-17(19)22)8-5-10-16(15)21-18(14)20/h5-7,9-11,13-14H,2-4,8,12H2,1H3,(H2,23,25)(H2,24,26);5-8,10-12,14H,2-4,9,13,15,23H2,1H3,(H2,24,25);5-7,9-13H,2-4,8,14,22H2,1H3,(H2,23,24);4,6-10,12-13,15H,2-3,5,11,14H2,1H3,(H2,22,23);5,8,10,12H,2-4,6-7,9,11H2,1H3,(H2,19,22)(H2,20,21)
InChIKeyZUEFTDCTXYOUKJ-UHFFFAOYSA-N
MW1604.25 g/mol
LogP22.01
Rot. Bonds34

About 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

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 (PubChem CID 162221430) has the molecular formula C104H126N14O2 and a molecular weight of 1604.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[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
PubChem CID162221430
Molecular FormulaC104H126N14O2
Molecular Weight1604.25 g/mol
Exact Mass1603.02
IUPAC Name5-[[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
SMILESCCCCCc1cc2c(-c3cccc(CN)c3)cccc2nc1N.CCCCCc1cc2c(CCCC(N)=O)cccc2nc1N.CCCCCc1cc2c(Cc3cccc(C(N)=O)c3)cccc2nc1N.CCCCCc1cc2c(Cc3ccccc3)cccc2nc1N.CCCCCc1cc2c(Cc3ccccc3CN)cccc2nc1N
InChIInChI=1S/C22H25N3O.C22H27N3.C21H25N3.C21H24N2.C18H25N3O/c1-2-3-4-8-17-14-19-16(9-6-11-20(19)25-21(17)23)12-15-7-5-10-18(13-15)22(24)26;1-2-3-4-9-18-14-20-17(11-7-12-21(20)25-22(18)24)13-16-8-5-6-10-19(16)15-23;1-2-3-4-8-17-13-19-18(10-6-11-20(19)24-21(17)23)16-9-5-7-15(12-16)14-22;1-2-3-5-11-18-15-19-17(14-16-9-6-4-7-10-16)12-8-13-20(19)23-21(18)22;1-2-3-4-7-14-12-15-13(9-6-11-17(19)22)8-5-10-16(15)21-18(14)20/h5-7,9-11,13-14H,2-4,8,12H2,1H3,(H2,23,25)(H2,24,26);5-8,10-12,14H,2-4,9,13,15,23H2,1H3,(H2,24,25);5-7,9-13H,2-4,8,14,22H2,1H3,(H2,23,24);4,6-10,12-13,15H,2-3,5,11,14H2,1H3,(H2,22,23);5,8,10,12H,2-4,6-7,9,11H2,1H3,(H2,19,22)(H2,20,21)
InChIKeyZUEFTDCTXYOUKJ-UHFFFAOYSA-N
XLogP22.01
TPSA332.77 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds34
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001604.25
LogP ≤ 522.01
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCc1cc2c(-c3cccc(CN)c3)cccc2nc1N.CCCCCc1cc2c(CCCC(N)=O)cccc2nc1N.CCCCCc1cc2c(Cc3cccc(C(N)=O)c3)cccc2nc1N.CCCCCc1cc2c(Cc3ccccc3)cccc2nc1N.CCCCCc1cc2c(Cc3ccccc3CN)cccc2nc1N.
What is the InChIKey of 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?
The InChIKey is ZUEFTDCTXYOUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O.C22H27N3.C21H25N3.C21H24N2.C18H25N3O/c1-2-3-4-8-17-14-19-16(9-6-11-20(19)25-21(17)23)12-15-7-5-10-18(13-15)22(24)26;1-2-3-4-9-18-14-20-17(11-7-12-21(20)25-22(18)24)13-16-8-5-6-10-19(16)15-23;1-2-3-4-8-17-13-19-18(10-6-11-20(19)24-21(17)23)16-9-5-7-15(12-16)14-22;1-2-3-5-11-18-15-19-17(14-16-9-6-4-7-10-16)12-8-13-20(19)23-21(18)22;1-2-3-4-7-14-12-15-13(9-6-11-17(19)22)8-5-10-16(15)21-18(14)20/h5-7,9-11,13-14H,2-4,8,12H2,1H3,(H2,23,25)(H2,24,26);5-8,10-12,14H,2-4,9,13,15,23H2,1H3,(H2,24,25);5-7,9-13H,2-4,8,14,22H2,1H3,(H2,23,24);4,6-10,12-13,15H,2-3,5,11,14H2,1H3,(H2,22,23);5,8,10,12H,2-4,6-7,9,11H2,1H3,(H2,19,22)(H2,20,21).
What are the key properties of 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?
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 has a molecular weight of 1604.25 g/mol, XLogP of 22.01, 34 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162221430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).