1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine

C18H36N2 — CID 104746470

IUPAC1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine
SMILESCCCC1CCCN(CC(NCC)C2CCCC2)CC1
InChIInChI=1S/C18H36N2/c1-3-8-16-9-7-13-20(14-12-16)15-18(19-4-2)17-10-5-6-11-17/h16-19H,3-15H2,1-2H3
InChIKeyFGEQLFMCKNMFKH-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds7

About 1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine

1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine (PubChem CID 104746470) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine
PubChem CID104746470
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine
SMILESCCCC1CCCN(CC(NCC)C2CCCC2)CC1
InChIInChI=1S/C18H36N2/c1-3-8-16-9-7-13-20(14-12-16)15-18(19-4-2)17-10-5-6-11-17/h16-19H,3-15H2,1-2H3
InChIKeyFGEQLFMCKNMFKH-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-N-ethyl-2-(4-ethylazepan-1-yl)ethanamine
CID 104746455
1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine
CID 104746295
1-cyclopentyl-N-ethyl-2-(3-ethylpyrrolidin-1-yl)ethanamine
CID 104747000
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-cyclopentyl-2-(ethylamino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 104744906
2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine
CID 104746978
1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine
CID 104746542
1-cyclopentyl-2-(4-propylpiperidin-1-yl)ethanol
CID 104752787
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-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine
CID 104746000

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine?
The IUPAC name of 1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine (CID 104746470) is 1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine is CCCC1CCCN(CC(NCC)C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine?
The InChIKey is FGEQLFMCKNMFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-3-8-16-9-7-13-20(14-12-16)15-18(19-4-2)17-10-5-6-11-17/h16-19H,3-15H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine?
1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-2-(4-propylazepan-1-yl)ethanamine is sourced from PubChem (CID 104746470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).