1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine

C17H26N2 — CID 112678184

IUPAC1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CCCC2CCCC21
InChIInChI=1S/C17H26N2/c1-2-15(18)14-9-3-4-10-17(14)19-12-6-8-13-7-5-11-16(13)19/h3-4,9-10,13,15-16H,2,5-8,11-12,18H2,1H3
InChIKeyNARRQOIIPYSTEJ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.87
Rot. Bonds3

About 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine

1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine (PubChem CID 112678184) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine
PubChem CID112678184
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CCCC2CCCC21
InChIInChI=1S/C17H26N2/c1-2-15(18)14-9-3-4-10-17(14)19-12-6-8-13-7-5-11-16(13)19/h3-4,9-10,13,15-16H,2,5-8,11-12,18H2,1H3
InChIKeyNARRQOIIPYSTEJ-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine with MolForge

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Related Compounds

(1R)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103958582
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine
CID 102726801
1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 115995355
1-[2-(chloromethyl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320115
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
(1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine
CID 113358838
2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]ethanamine
CID 65322647
(1S)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 103959030
(1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine
CID 103937439
(1S)-1-[2-(4-tert-butylazepan-1-yl)phenyl]propan-1-amine
CID 103958962
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-fluorophenyl]ethanamine
CID 65320484

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine (CID 112678184) is 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine is CCC(N)c1ccccc1N1CCCC2CCCC21.
What is the InChIKey of 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine?
The InChIKey is NARRQOIIPYSTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-15(18)14-9-3-4-10-17(14)19-12-6-8-13-7-5-11-16(13)19/h3-4,9-10,13,15-16H,2,5-8,11-12,18H2,1H3.
What are the key properties of 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine?
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 112678184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).