N,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine

C16H32N2 — CID 79829283

IUPACN,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine
SMILESCNC1C(N2CCCCCC2C)CCCC1(C)C
InChIInChI=1S/C16H32N2/c1-13-9-6-5-7-12-18(13)14-10-8-11-16(2,3)15(14)17-4/h13-15,17H,5-12H2,1-4H3
InChIKeyMLCUJWWYVFUPIF-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds2

About N,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine

N,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine (PubChem CID 79829283) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine
PubChem CID79829283
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine
SMILESCNC1C(N2CCCCCC2C)CCCC1(C)C
InChIInChI=1S/C16H32N2/c1-13-9-6-5-7-12-18(13)14-10-8-11-16(2,3)15(14)17-4/h13-15,17H,5-12H2,1-4H3
InChIKeyMLCUJWWYVFUPIF-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2-methylpiperidin-1-yl)cyclododecan-1-amine
CID 63464938
N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
CID 79937858
N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine
CID 104689520
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79835833
2,2-dimethyl-5-(2-methylpiperidin-1-yl)cyclopentan-1-amine
CID 79864470
2,2-dimethyl-N-propyl-6-(2-propylpiperidin-1-yl)cyclohexan-1-amine
CID 83053137
2,2-dimethyl-5-(2-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 79857715
2,2-dimethyl-6-(3-methylmorpholin-4-yl)-N-propylcyclohexan-1-amine
CID 79829478
trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol
CID 102734781
6-(2,2-dimethylmorpholin-4-yl)-N,2,2-trimethylcyclohexan-1-amine
CID 79828996
N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 79828781
1-[3,3-dimethyl-2-(methylamino)cyclohexyl]-N,N-diethylpyrrolidin-3-amine
CID 79828376

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine?
The IUPAC name of N,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine (CID 79829283) is N,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine?
The canonical SMILES for N,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine is CNC1C(N2CCCCCC2C)CCCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine?
The InChIKey is MLCUJWWYVFUPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13-9-6-5-7-12-18(13)14-10-8-11-16(2,3)15(14)17-4/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine?
N,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 79829283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).