1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine

C18H36N2 — CID 104746542

IUPAC1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine
SMILESCCNC(CN1CCCC(C)(C)CC1)C1CCCCC1
InChIInChI=1S/C18H36N2/c1-4-19-17(16-9-6-5-7-10-16)15-20-13-8-11-18(2,3)12-14-20/h16-17,19H,4-15H2,1-3H3
InChIKeyQTWFIMQOADIVME-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds5

About 1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine

1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine (PubChem CID 104746542) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine
PubChem CID104746542
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine
SMILESCCNC(CN1CCCC(C)(C)CC1)C1CCCCC1
InChIInChI=1S/C18H36N2/c1-4-19-17(16-9-6-5-7-10-16)15-20-13-8-11-18(2,3)12-14-20/h16-17,19H,4-15H2,1-3H3
InChIKeyQTWFIMQOADIVME-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-cyclohexyl-2-(3,3-dimethylpiperidin-1-yl)-N-ethylethanamine
CID 104746425
1-cyclohexyl-N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391751
1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine
CID 104746295
1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine
CID 65281511
1-cyclohexyl-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine
CID 104746455
1-cyclohexyl-2-(4-cyclopropylpiperazin-1-yl)-N-ethylethanamine
CID 104745275
1-[2-cyclopentyl-2-(ethylamino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 104744906
1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine
CID 104745397
1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine
CID 104746470
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-cyclopentyl-2-(3,3-dimethylpyrrolidin-1-yl)-N-methylethanamine
CID 104746766

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine?
The IUPAC name of 1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine (CID 104746542) is 1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine?
The canonical SMILES for 1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine is CCNC(CN1CCCC(C)(C)CC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine?
The InChIKey is QTWFIMQOADIVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-19-17(16-9-6-5-7-10-16)15-20-13-8-11-18(2,3)12-14-20/h16-17,19H,4-15H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine?
1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine is sourced from PubChem (CID 104746542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).