[2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine

C15H30N2O — CID 64761755

IUPAC[2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine
SMILESCC1CCC(C)C(CN)(N2CCCOC(C)C2)C1
InChIInChI=1S/C15H30N2O/c1-12-5-6-13(2)15(9-12,11-16)17-7-4-8-18-14(3)10-17/h12-14H,4-11,16H2,1-3H3
InChIKeyXHLFUCSNDMCARV-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.25
Rot. Bonds2

About [2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine

[2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine (PubChem CID 64761755) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is [2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine
PubChem CID64761755
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name[2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine
SMILESCC1CCC(C)C(CN)(N2CCCOC(C)C2)C1
InChIInChI=1S/C15H30N2O/c1-12-5-6-13(2)15(9-12,11-16)17-7-4-8-18-14(3)10-17/h12-14H,4-11,16H2,1-3H3
InChIKeyXHLFUCSNDMCARV-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

[2,5-dimethyl-1-(2-methylmorpholin-4-yl)cyclohexyl]methanamine
CID 64760139
[2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 64761757
[2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64763152
[2,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
CID 64761949
[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 79951129
[2,5-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclohexyl]methanamine
CID 114537518
[1-(4-ethyl-4-methylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine
CID 64763143
[1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine
CID 64762341
[2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine
CID 114236814
[2,5-dimethyl-1-(2-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64760563
[2,5-dimethyl-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine
CID 64760752
[4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine
CID 65088033

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine?
The IUPAC name of [2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine (CID 64761755) is [2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine?
The canonical SMILES for [2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine is CC1CCC(C)C(CN)(N2CCCOC(C)C2)C1.
What is the InChIKey of [2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine?
The InChIKey is XHLFUCSNDMCARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12-5-6-13(2)15(9-12,11-16)17-7-4-8-18-14(3)10-17/h12-14H,4-11,16H2,1-3H3.
What are the key properties of [2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine?
[2,5-dimethyl-1-(2-methyl-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 [2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 64761755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).