[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine

C15H23N3 — CID 81247229

IUPAC[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine
SMILESNCc1cnccc1N1CCCC2CCCCC21
InChIInChI=1S/C15H23N3/c16-10-13-11-17-8-7-15(13)18-9-3-5-12-4-1-2-6-14(12)18/h7-8,11-12,14H,1-6,9-10,16H2
InChIKeyIFUXBCLZRAJKGP-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.70
Rot. Bonds2

About [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine

[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine (PubChem CID 81247229) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine
PubChem CID81247229
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine
SMILESNCc1cnccc1N1CCCC2CCCCC21
InChIInChI=1S/C15H23N3/c16-10-13-11-17-8-7-15(13)18-9-3-5-12-4-1-2-6-14(12)18/h7-8,11-12,14H,1-6,9-10,16H2
InChIKeyIFUXBCLZRAJKGP-UHFFFAOYSA-N
XLogP2.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine 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

1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81246932
[4-(2-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81249026
[4-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]methanamine
CID 97053137
[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81248148
(4aR,8aR)-1-[4-(chloromethyl)-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727745
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-bromophenyl]methanamine
CID 102725431
N-[[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 102728438
N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105073329
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine
CID 114016660
6-(2-cyclopentylpyrrolidin-1-yl)isoquinolin-5-amine
CID 106947950
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine
CID 107055207
[2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine
CID 81298987

Frequently Asked Questions

What is the IUPAC name of [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine (CID 81247229) is [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine is NCc1cnccc1N1CCCC2CCCCC21.
What is the InChIKey of [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is IFUXBCLZRAJKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-10-13-11-17-8-7-15(13)18-9-3-5-12-4-1-2-6-14(12)18/h7-8,11-12,14H,1-6,9-10,16H2.
What are the key properties of [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine?
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81247229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).