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

C15H30N2O — CID 64761757

IUPAC[2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine
SMILESCC1CN(C2(CN)CCCC(C)C2C)CCCO1
InChIInChI=1S/C15H30N2O/c1-12-6-4-7-15(11-16,14(12)3)17-8-5-9-18-13(2)10-17/h12-14H,4-11,16H2,1-3H3
InChIKeyMVBATRYZJOVZDN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.25
Rot. Bonds2

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

[2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine (PubChem CID 64761757) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is [2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine
PubChem CID64761757
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name[2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine
SMILESCC1CN(C2(CN)CCCC(C)C2C)CCCO1
InChIInChI=1S/C15H30N2O/c1-12-6-4-7-15(11-16,14(12)3)17-8-5-9-18-13(2)10-17/h12-14H,4-11,16H2,1-3H3
InChIKeyMVBATRYZJOVZDN-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

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

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Related Compounds

[1-(2-ethylmorpholin-4-yl)-2,3-dimethylcyclohexyl]methanamine
CID 64761345
[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 79951129
[2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 64761755
[2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 113417186
[1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62988984
[4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine
CID 65088033
[1-(2,2-dimethylpyrrolidin-1-yl)-2,3-dimethylcyclohexyl]methanamine
CID 64763160
[1-(3,3-dimethylmorpholin-4-yl)-2,3-dimethylcyclohexyl]methanamine
CID 64761578
[2,5-dimethyl-1-(2-methylmorpholin-4-yl)cyclohexyl]methanamine
CID 64760139
(1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 123617819
[1-(2-methylmorpholin-4-yl)cyclopropyl]methanamine
CID 106660995
[1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine
CID 43099350

Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine?
The IUPAC name of [2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine (CID 64761757) is [2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine?
The canonical SMILES for [2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine is CC1CN(C2(CN)CCCC(C)C2C)CCCO1.
What is the InChIKey of [2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine?
The InChIKey is MVBATRYZJOVZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12-6-4-7-15(11-16,14(12)3)17-8-5-9-18-13(2)10-17/h12-14H,4-11,16H2,1-3H3.
What are the key properties of [2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine?
[2,3-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 [2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 64761757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).