1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine

C18H36N2 — CID 104746455

IUPAC1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine
SMILESCCNC(CN1CCCC(CC)CC1)C1CCCCC1
InChIInChI=1S/C18H36N2/c1-3-16-9-8-13-20(14-12-16)15-18(19-4-2)17-10-6-5-7-11-17/h16-19H,3-15H2,1-2H3
InChIKeyMARGQEZLQDWWQG-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds6

About 1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine

1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine (PubChem CID 104746455) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine
PubChem CID104746455
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine
SMILESCCNC(CN1CCCC(CC)CC1)C1CCCCC1
InChIInChI=1S/C18H36N2/c1-3-16-9-8-13-20(14-12-16)15-18(19-4-2)17-10-6-5-7-11-17/h16-19H,3-15H2,1-2H3
InChIKeyMARGQEZLQDWWQG-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine
CID 104746470
1-cyclopentyl-N-ethyl-2-(3-ethylpyrrolidin-1-yl)ethanamine
CID 104747000
1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine
CID 104746295
1-cyclohexyl-N-ethyl-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 104746414
1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine
CID 104745397
1-[2-cyclopentyl-2-(ethylamino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 104744906
1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine
CID 104746542
1-cyclohexyl-2-(4-cyclopropylpiperazin-1-yl)-N-ethylethanamine
CID 104745275
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-dimethylpiperidin-3-amine
CID 104746634
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 104746151
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 104746160
1-cyclopentyl-N-ethyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 104746187

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine (CID 104746455) is 1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine is CCNC(CN1CCCC(CC)CC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine?
The InChIKey is MARGQEZLQDWWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-3-16-9-8-13-20(14-12-16)15-18(19-4-2)17-10-6-5-7-11-17/h16-19H,3-15H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine?
1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine is sourced from PubChem (CID 104746455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).