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

C14H26N2 — CID 115449090

IUPAC[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine
SMILESNCC1(CN2CCCC3CCCC32)CCC1
InChIInChI=1S/C14H26N2/c15-10-14(7-3-8-14)11-16-9-2-5-12-4-1-6-13(12)16/h12-13H,1-11,15H2
InChIKeyUNJJPRKMVRLMIP-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.38
Rot. Bonds3

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

[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine (PubChem CID 115449090) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine
PubChem CID115449090
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine
SMILESNCC1(CN2CCCC3CCCC32)CCC1
InChIInChI=1S/C14H26N2/c15-10-14(7-3-8-14)11-16-9-2-5-12-4-1-6-13(12)16/h12-13H,1-11,15H2
InChIKeyUNJJPRKMVRLMIP-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropyl]methanamine
CID 115453680
[1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclobutyl]methanamine
CID 81170586
1-[[1-(bromomethyl)cycloheptyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319651
[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-yl]methanamine
CID 82749737
[1-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]methanamine
CID 115448882
[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]methanol
CID 102728342
(4aR,8aR)-1-[[1-(bromomethyl)cyclohexyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727759
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-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cyclohexyl]-N-methylmethanamine
CID 102728281
1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine
CID 102728299
N-[[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cyclopentyl]methyl]propan-2-amine
CID 102728272

Frequently Asked Questions

What is the IUPAC name of [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine (CID 115449090) is [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine is NCC1(CN2CCCC3CCCC32)CCC1.
What is the InChIKey of [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine?
The InChIKey is UNJJPRKMVRLMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c15-10-14(7-3-8-14)11-16-9-2-5-12-4-1-6-13(12)16/h12-13H,1-11,15H2.
What are the key properties of [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine?
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine has a molecular weight of 222.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine is sourced from PubChem (CID 115449090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).