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

C16H30N2 — CID 65319820

IUPAC1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclohexan-1-amine
SMILESNC1(CCN2CCCC3CCCC32)CCCCC1
InChIInChI=1S/C16H30N2/c17-16(9-2-1-3-10-16)11-13-18-12-5-7-14-6-4-8-15(14)18/h14-15H,1-13,17H2
InChIKeyYUFNGHYGQJYOKO-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.30
Rot. Bonds3

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

1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclohexan-1-amine (PubChem CID 65319820) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclohexan-1-amine
PubChem CID65319820
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclohexan-1-amine
SMILESNC1(CCN2CCCC3CCCC32)CCCCC1
InChIInChI=1S/C16H30N2/c17-16(9-2-1-3-10-16)11-13-18-12-5-7-14-6-4-8-15(14)18/h14-15H,1-13,17H2
InChIKeyYUFNGHYGQJYOKO-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-amine
CID 65320299
1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutan-1-amine
CID 79842524
1-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclopropan-1-amine
CID 65459564
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine
CID 65459333
[1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutyl]methanamine
CID 81170586
1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 64679083
1-[[1-(bromomethyl)cycloheptyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319651
2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide
CID 79564461
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-1-ol
CID 65319985
2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine
CID 167914484
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylethanamine
CID 65320984
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine
CID 115449090

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclohexan-1-amine (CID 65319820) is 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclohexan-1-amine is NC1(CCN2CCCC3CCCC32)CCCCC1.
What is the InChIKey of 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclohexan-1-amine?
The InChIKey is YUFNGHYGQJYOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c17-16(9-2-1-3-10-16)11-13-18-12-5-7-14-6-4-8-15(14)18/h14-15H,1-13,17H2.
What are the key properties of 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclohexan-1-amine?
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclohexan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.30, 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)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 65319820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).