[3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine

C15H30N2O — CID 55151816

IUPAC[3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
SMILESCC1CC(C)(C)CC(CN)(N2CCCOCC2)C1
InChIInChI=1S/C15H30N2O/c1-13-9-14(2,3)11-15(10-13,12-16)17-5-4-7-18-8-6-17/h13H,4-12,16H2,1-3H3
InChIKeyHQXROZSVBWDYDF-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.25
Rot. Bonds2

About [3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine

[3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine (PubChem CID 55151816) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is [3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
PubChem CID55151816
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name[3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
SMILESCC1CC(C)(C)CC(CN)(N2CCCOCC2)C1
InChIInChI=1S/C15H30N2O/c1-13-9-14(2,3)11-15(10-13,12-16)17-5-4-7-18-8-6-17/h13H,4-12,16H2,1-3H3
InChIKeyHQXROZSVBWDYDF-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 62987611
[5,5-dimethyl-3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 79958271
[1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,3,5-trimethylcyclohexyl]methanamine
CID 43620259
[1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine
CID 62987612
[3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 107429027
[3-methyl-1-(3-methylmorpholin-4-yl)cyclobutyl]methanamine
CID 103562615
[1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine
CID 65089002
[3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 62986373
[1-(azocan-1-yl)-3-methylcyclopentyl]methanamine
CID 64501768
[1-(4,4-dimethylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
CID 64500940
(3-methyl-1-pyrrolidin-1-ylcyclohexyl)methanamine
CID 24695310
[3,3,5,5-tetramethyl-1-(3-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 112682303

Frequently Asked Questions

What is the IUPAC name of [3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine?
The IUPAC name of [3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine (CID 55151816) is [3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine?
The canonical SMILES for [3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine is CC1CC(C)(C)CC(CN)(N2CCCOCC2)C1.
What is the InChIKey of [3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine?
The InChIKey is HQXROZSVBWDYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-9-14(2,3)11-15(10-13,12-16)17-5-4-7-18-8-6-17/h13H,4-12,16H2,1-3H3.
What are the key properties of [3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine?
[3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine has a molecular weight of 254.42 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,5-trimethyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 55151816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).