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

C17H34N2 — CID 104746295

IUPAC1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine
SMILESCCNC(CN1CCCC(C)CC1)C1CCCCC1
InChIInChI=1S/C17H34N2/c1-3-18-17(16-9-5-4-6-10-16)14-19-12-7-8-15(2)11-13-19/h15-18H,3-14H2,1-2H3
InChIKeyHJEBONJSQQKYRH-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds5

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

1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine (PubChem CID 104746295) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine
PubChem CID104746295
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine
SMILESCCNC(CN1CCCC(C)CC1)C1CCCCC1
InChIInChI=1S/C17H34N2/c1-3-18-17(16-9-5-4-6-10-16)14-19-12-7-8-15(2)11-13-19/h15-18H,3-14H2,1-2H3
InChIKeyHJEBONJSQQKYRH-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine
CID 104746455
1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine
CID 104746470
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-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine
CID 104745397
1-cyclohexyl-N-ethyl-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 104746414
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-cyclopentyl-N-ethyl-2-(3-ethylpyrrolidin-1-yl)ethanamine
CID 104747000
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-methylazepan-1-yl)ethanamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine (CID 104746295) is 1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine is CCNC(CN1CCCC(C)CC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine?
The InChIKey is HJEBONJSQQKYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-18-17(16-9-5-4-6-10-16)14-19-12-7-8-15(2)11-13-19/h15-18H,3-14H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine?
1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 5 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-methylazepan-1-yl)ethanamine is sourced from PubChem (CID 104746295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).