N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine

C18H36N2 — CID 104689520

IUPACN-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(N2CCCCCC2CC)CCCC1(C)C
InChIInChI=1S/C18H36N2/c1-5-15-11-8-7-9-14-20(15)16-12-10-13-18(3,4)17(16)19-6-2/h15-17,19H,5-14H2,1-4H3
InChIKeyBYXMERBGGQJRLZ-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds4

About N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine

N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 104689520) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine
PubChem CID104689520
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(N2CCCCCC2CC)CCCC1(C)C
InChIInChI=1S/C18H36N2/c1-5-15-11-8-7-9-14-20(15)16-12-10-13-18(3,4)17(16)19-6-2/h15-17,19H,5-14H2,1-4H3
InChIKeyBYXMERBGGQJRLZ-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine (CID 104689520) is N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine is CCNC1C(N2CCCCCC2CC)CCCC1(C)C.
What is the InChIKey of N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is BYXMERBGGQJRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-15-11-8-7-9-14-20(15)16-12-10-13-18(3,4)17(16)19-6-2/h15-17,19H,5-14H2,1-4H3.
What are the key properties of N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine?
N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 104689520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).