[4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine

C13H26N2O — CID 62987611

IUPAC[4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
SMILESCC1CCC(CN)(N2CCCOCC2)CC1
InChIInChI=1S/C13H26N2O/c1-12-3-5-13(11-14,6-4-12)15-7-2-9-16-10-8-15/h12H,2-11,14H2,1H3
InChIKeyLOSKRDDKZWCAJP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.62
Rot. Bonds2

About [4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine

[4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine (PubChem CID 62987611) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
PubChem CID62987611
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
SMILESCC1CCC(CN)(N2CCCOCC2)CC1
InChIInChI=1S/C13H26N2O/c1-12-3-5-13(11-14,6-4-12)15-7-2-9-16-10-8-15/h12H,2-11,14H2,1H3
InChIKeyLOSKRDDKZWCAJP-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine
CID 62987612
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138
[1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine
CID 65089002
[3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 55151816
[3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 107429027
[1-(azocan-1-yl)-3-methylcyclopentyl]methanamine
CID 64501768
[1-(2-ethylmorpholin-4-yl)-4-methylcyclohexyl]methanamine
CID 43562544
[1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 55248044
[3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 62986373
[1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine
CID 65085186
[4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexyl]methanamine
CID 66392846
[1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 65084940

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine (CID 62987611) is [4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine is CC1CCC(CN)(N2CCCOCC2)CC1.
What is the InChIKey of [4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine?
The InChIKey is LOSKRDDKZWCAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12-3-5-13(11-14,6-4-12)15-7-2-9-16-10-8-15/h12H,2-11,14H2,1H3.
What are the key properties of [4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine?
[4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 62987611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).