[3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine

C16H32N2O — CID 107429027

IUPAC[3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
SMILESCC(C)CC1CCCC(CN)(N2CCCOCC2)C1
InChIInChI=1S/C16H32N2O/c1-14(2)11-15-5-3-6-16(12-15,13-17)18-7-4-9-19-10-8-18/h14-15H,3-13,17H2,1-2H3
InChIKeyKKCFFPKZYLYNGO-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.64
Rot. Bonds4

About [3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine

[3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine (PubChem CID 107429027) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
PubChem CID107429027
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
SMILESCC(C)CC1CCCC(CN)(N2CCCOCC2)C1
InChIInChI=1S/C16H32N2O/c1-14(2)11-15-5-3-6-16(12-15,13-17)18-7-4-9-19-10-8-18/h14-15H,3-13,17H2,1-2H3
InChIKeyKKCFFPKZYLYNGO-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine with MolForge

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Related Compounds

[1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429031
[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 107428957
[3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine
CID 107428904
[1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine
CID 65089002
[1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429099
[4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 62987611
[1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429133
1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 107429032
[1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine
CID 62987612
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine
CID 107429124
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429059
[1-(2-ethylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107428917

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine?
The IUPAC name of [3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine (CID 107429027) is [3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine?
The canonical SMILES for [3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine is CC(C)CC1CCCC(CN)(N2CCCOCC2)C1.
What is the InChIKey of [3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine?
The InChIKey is KKCFFPKZYLYNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2)11-15-5-3-6-16(12-15,13-17)18-7-4-9-19-10-8-18/h14-15H,3-13,17H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine?
[3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine has a molecular weight of 268.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 107429027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).