2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine

C18H36N2 — CID 65281267

IUPAC2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1N1CCCC(C)(C)CC1
InChIInChI=1S/C18H36N2/c1-6-19-15-8-10-18(4,5)14-16(15)20-12-7-9-17(2,3)11-13-20/h15-16,19H,6-14H2,1-5H3
InChIKeyQTXVVGLNUWMYTI-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds3

About 2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine

2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine (PubChem CID 65281267) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
PubChem CID65281267
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1N1CCCC(C)(C)CC1
InChIInChI=1S/C18H36N2/c1-6-19-15-8-10-18(4,5)14-16(15)20-12-7-9-17(2,3)11-13-20/h15-16,19H,6-14H2,1-5H3
InChIKeyQTXVVGLNUWMYTI-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine
CID 102965548
2-(4,4-dimethylazepan-1-yl)-N-propylcyclopentan-1-amine
CID 65281074
2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 65282366
N-ethyl-2-(4-ethyl-4-methylpiperidin-1-yl)cyclohexan-1-amine
CID 63160766
N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine
CID 63466183
3-(4,4-dimethylazepan-1-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639514
N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)cyclooctan-1-amine
CID 107392190
2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 66321323
2-(2,2-dimethylpyrrolidin-1-yl)-N-ethylcycloheptan-1-amine
CID 55161540
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 115559480
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62931664
2-(azocan-1-yl)-N,4-diethylcyclohexan-1-amine
CID 63465174

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine (CID 65281267) is 2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine is CCNC1CCC(C)(C)CC1N1CCCC(C)(C)CC1.
What is the InChIKey of 2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The InChIKey is QTXVVGLNUWMYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-6-19-15-8-10-18(4,5)14-16(15)20-12-7-9-17(2,3)11-13-20/h15-16,19H,6-14H2,1-5H3.
What are the key properties of 2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine?
2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 65281267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).