N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine

C17H26ClN3 — CID 102728376

IUPACN-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCC[C@H]3CCCC[C@H]32)c(Cl)c1
InChIInChI=1S/C17H26ClN3/c1-2-19-11-13-10-15(18)17(20-12-13)21-9-5-7-14-6-3-4-8-16(14)21/h10,12,14,16,19H,2-9,11H2,1H3/t14-,16-/m1/s1
InChIKeyMDOPTHFFFIWXKG-GDBMZVCRSA-N
MW307.87 g/mol
LogP4.00
Rot. Bonds4

About N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine

N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine (PubChem CID 102728376) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine
PubChem CID102728376
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC NameN-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCC[C@H]3CCCC[C@H]32)c(Cl)c1
InChIInChI=1S/C17H26ClN3/c1-2-19-11-13-10-15(18)17(20-12-13)21-9-5-7-14-6-3-4-8-16(14)21/h10,12,14,16,19H,2-9,11H2,1H3/t14-,16-/m1/s1
InChIKeyMDOPTHFFFIWXKG-GDBMZVCRSA-N
XLogP4.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine 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-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62285951
N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62287828
1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80636278
N-[[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 63151278
N-[[5-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]ethanamine
CID 106589185
N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 114596915
(4aR,8aR)-1-[5-(chloromethyl)-3-methyl-2-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727193
[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80636209
N-[[6-(2-ethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80630583
N-[[5-chloro-6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 63003113
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80638431
[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 62299264

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine (CID 102728376) is N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(N2CCC[C@H]3CCCC[C@H]32)c(Cl)c1.
What is the InChIKey of N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine?
The InChIKey is MDOPTHFFFIWXKG-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-2-19-11-13-10-15(18)17(20-12-13)21-9-5-7-14-6-3-4-8-16(14)21/h10,12,14,16,19H,2-9,11H2,1H3/t14-,16-/m1/s1.
What are the key properties of N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine?
N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine has a molecular weight of 307.87 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 102728376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).