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

C13H24N2 — CID 79521878

IUPAC[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine
SMILESNCC1(N2CCCC3CCCC32)CCC1
InChIInChI=1S/C13H24N2/c14-10-13(7-3-8-13)15-9-2-5-11-4-1-6-12(11)15/h11-12H,1-10,14H2
InChIKeyIPAVITWEOFQUEK-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.13
Rot. Bonds2

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

[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine (PubChem CID 79521878) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine
PubChem CID79521878
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine
SMILESNCC1(N2CCCC3CCCC32)CCC1
InChIInChI=1S/C13H24N2/c14-10-13(7-3-8-13)15-9-2-5-11-4-1-6-12(11)15/h11-12H,1-10,14H2
InChIKeyIPAVITWEOFQUEK-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine (CID 79521878) is [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine is NCC1(N2CCCC3CCCC32)CCC1.
What is the InChIKey of [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine?
The InChIKey is IPAVITWEOFQUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c14-10-13(7-3-8-13)15-9-2-5-11-4-1-6-12(11)15/h11-12H,1-10,14H2.
What are the key properties of [1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine?
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine has a molecular weight of 208.35 g/mol, XLogP of 2.13, 2 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-yl)cyclobutyl]methanamine is sourced from PubChem (CID 79521878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).