N-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline

C28H43N5 — CID 142416963

IUPACN-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline
SMILESCCN(CCNC1CC1)c1cccc2c1CC(CN(C)C)NC2.c1cnc2c(c1)CCCC2
InChIInChI=1S/C19H32N4.C9H11N/c1-4-23(11-10-20-16-8-9-16)19-7-5-6-15-13-21-17(12-18(15)19)14-22(2)3;1-2-6-9-8(4-1)5-3-7-10-9/h5-7,16-17,20-21H,4,8-14H2,1-3H3;3,5,7H,1-2,4,6H2
InChIKeyUEGASNOUIBQGIJ-UHFFFAOYSA-N
MW449.69 g/mol
LogP3.80
Rot. Bonds8

About N-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline

N-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline (PubChem CID 142416963) has the molecular formula C28H43N5 and a molecular weight of 449.69 g/mol. Its IUPAC name is N-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound NameN-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline
PubChem CID142416963
Molecular FormulaC28H43N5
Molecular Weight449.69 g/mol
Exact Mass449.35
IUPAC NameN-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline
SMILESCCN(CCNC1CC1)c1cccc2c1CC(CN(C)C)NC2.c1cnc2c(c1)CCCC2
InChIInChI=1S/C19H32N4.C9H11N/c1-4-23(11-10-20-16-8-9-16)19-7-5-6-15-13-21-17(12-18(15)19)14-22(2)3;1-2-6-9-8(4-1)5-3-7-10-9/h5-7,16-17,20-21H,4,8-14H2,1-3H3;3,5,7H,1-2,4,6H2
InChIKeyUEGASNOUIBQGIJ-UHFFFAOYSA-N
XLogP3.80
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.69
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline 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

N,N-dimethyl-1-[5-(4-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;5,6,7,8-tetrahydroquinoline
CID 142416797
(3R)-N-methyl-N-(1-methylpiperidin-4-yl)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 146399128
4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline
CID 142417004
2-(dimethylamino)-N-[[(3S)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]methyl]acetamide
CID 146398829
N-methyl-N-[[(3R)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 146398708
(8S)-N-[[(3S)-5-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 159315888
(8S)-N-[[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 146398898
(8S)-N-methyl-N-[[(3S)-5-pyrimidin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 146398744
(8S)-N-[[4-(aminomethyl)phenyl]methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-7-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 146398434
(8S)-N-methyl-N-[[(3S)-5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 157300669
N,N-diethyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 71344847
N-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide
CID 146398902

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline?
The IUPAC name of N-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline (CID 142416963) is N-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for N-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline?
The canonical SMILES for N-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline is CCN(CCNC1CC1)c1cccc2c1CC(CN(C)C)NC2.c1cnc2c(c1)CCCC2.
What is the InChIKey of N-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline?
The InChIKey is UEGASNOUIBQGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4.C9H11N/c1-4-23(11-10-20-16-8-9-16)19-7-5-6-15-13-21-17(12-18(15)19)14-22(2)3;1-2-6-9-8(4-1)5-3-7-10-9/h5-7,16-17,20-21H,4,8-14H2,1-3H3;3,5,7H,1-2,4,6H2.
What are the key properties of N-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline?
N-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline has a molecular weight of 449.69 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 142416963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).