[2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine

C16H32N2 — CID 79847388

IUPAC[2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine
SMILESCC1CCCCCN1C1(CN)CCCCC1(C)C
InChIInChI=1S/C16H32N2/c1-14-9-5-4-8-12-18(14)16(13-17)11-7-6-10-15(16,2)3/h14H,4-13,17H2,1-3H3
InChIKeyHJDRVMYPLKPZRV-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.55
Rot. Bonds2

About [2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine

[2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine (PubChem CID 79847388) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine
PubChem CID79847388
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine
SMILESCC1CCCCCN1C1(CN)CCCCC1(C)C
InChIInChI=1S/C16H32N2/c1-14-9-5-4-8-12-18(14)16(13-17)11-7-6-10-15(16,2)3/h14H,4-13,17H2,1-3H3
InChIKeyHJDRVMYPLKPZRV-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 24697145
[1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79836663
[2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine
CID 79927957
[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79856298
[4-methyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43176277
[1-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79847121
[1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
CID 81467694
[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79856782
[2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 81320897
[2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 79857355
[3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 63162443
[1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
CID 65089102

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine?
The IUPAC name of [2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine (CID 79847388) is [2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine is CC1CCCCCN1C1(CN)CCCCC1(C)C.
What is the InChIKey of [2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine?
The InChIKey is HJDRVMYPLKPZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14-9-5-4-8-12-18(14)16(13-17)11-7-6-10-15(16,2)3/h14H,4-13,17H2,1-3H3.
What are the key properties of [2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine?
[2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 79847388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).