[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine

C14H21N3 — CID 65319251

IUPAC[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(N2CCCC3CCCC32)ccn1
InChIInChI=1S/C14H21N3/c15-10-12-9-13(6-7-16-12)17-8-2-4-11-3-1-5-14(11)17/h6-7,9,11,14H,1-5,8,10,15H2
InChIKeyMLSGKMRWIXTRIM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.31
Rot. Bonds2

About [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine

[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine (PubChem CID 65319251) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine
PubChem CID65319251
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(N2CCCC3CCCC32)ccn1
InChIInChI=1S/C14H21N3/c15-10-12-9-13(6-7-16-12)17-8-2-4-11-3-1-5-14(11)17/h6-7,9,11,14H,1-5,8,10,15H2
InChIKeyMLSGKMRWIXTRIM-UHFFFAOYSA-N
XLogP2.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 65324755
1-[2-(chloromethyl)-4-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750360
1-(2-chloro-4-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102824033
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine
CID 107542080
2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol
CID 62925861
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyridine-2-carboxylic acid
CID 102726689
[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
CID 113441573
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]methanamine
CID 63888042
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 62926493
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine
CID 65318914
[1-(2-ethyl-4-pyridinyl)piperidin-2-yl]methanamine
CID 83837398
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine
CID 107055207

Frequently Asked Questions

What is the IUPAC name of [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine (CID 65319251) is [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine is NCc1cc(N2CCCC3CCCC32)ccn1.
What is the InChIKey of [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine?
The InChIKey is MLSGKMRWIXTRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c15-10-12-9-13(6-7-16-12)17-8-2-4-11-3-1-5-14(11)17/h6-7,9,11,14H,1-5,8,10,15H2.
What are the key properties of [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine?
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine has a molecular weight of 231.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 65319251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).