[1-(azepan-1-ylmethyl)cyclobutyl]methanamine

C12H24N2 — CID 82171578

IUPAC[1-(azepan-1-ylmethyl)cyclobutyl]methanamine
SMILESNCC1(CN2CCCCCC2)CCC1
InChIInChI=1S/C12H24N2/c13-10-12(6-5-7-12)11-14-8-3-1-2-4-9-14/h1-11,13H2
InChIKeyRQLXOTDDJCRXCK-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.99
Rot. Bonds3

About [1-(azepan-1-ylmethyl)cyclobutyl]methanamine

[1-(azepan-1-ylmethyl)cyclobutyl]methanamine (PubChem CID 82171578) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is [1-(azepan-1-ylmethyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(azepan-1-ylmethyl)cyclobutyl]methanamine
PubChem CID82171578
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name[1-(azepan-1-ylmethyl)cyclobutyl]methanamine
SMILESNCC1(CN2CCCCCC2)CCC1
InChIInChI=1S/C12H24N2/c13-10-12(6-5-7-12)11-14-8-3-1-2-4-9-14/h1-11,13H2
InChIKeyRQLXOTDDJCRXCK-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(pyrrolidin-1-ylmethyl)cyclopentyl]methanamine
CID 62261664
[1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine
CID 115449029
[1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexyl]methanamine
CID 63159912
[1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine
CID 115448951
[1-(azepan-1-ylmethyl)cyclohexyl]methanol
CID 62270892
[1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine
CID 115448905
[1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine
CID 107456185
[1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine
CID 79170228
1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine
CID 115449099
[1-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 62257531
[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 63168694
[1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine
CID 115453856

Frequently Asked Questions

What is the IUPAC name of [1-(azepan-1-ylmethyl)cyclobutyl]methanamine?
The IUPAC name of [1-(azepan-1-ylmethyl)cyclobutyl]methanamine (CID 82171578) is [1-(azepan-1-ylmethyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(azepan-1-ylmethyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(azepan-1-ylmethyl)cyclobutyl]methanamine is NCC1(CN2CCCCCC2)CCC1.
What is the InChIKey of [1-(azepan-1-ylmethyl)cyclobutyl]methanamine?
The InChIKey is RQLXOTDDJCRXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c13-10-12(6-5-7-12)11-14-8-3-1-2-4-9-14/h1-11,13H2.
What are the key properties of [1-(azepan-1-ylmethyl)cyclobutyl]methanamine?
[1-(azepan-1-ylmethyl)cyclobutyl]methanamine has a molecular weight of 196.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azepan-1-ylmethyl)cyclobutyl]methanamine is sourced from PubChem (CID 82171578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).