1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine

C17H36N4 — CID 104746000

IUPAC1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine
SMILESCCNC(CN1CCN(CCN(C)C)CC1)C1CCCC1
InChIInChI=1S/C17H36N4/c1-4-18-17(16-7-5-6-8-16)15-21-13-11-20(12-14-21)10-9-19(2)3/h16-18H,4-15H2,1-3H3
InChIKeyWYKIUOSVSOTVRA-UHFFFAOYSA-N
MW296.50 g/mol
LogP1.33
Rot. Bonds8

About 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine

1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine (PubChem CID 104746000) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine
PubChem CID104746000
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC Name1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine
SMILESCCNC(CN1CCN(CCN(C)C)CC1)C1CCCC1
InChIInChI=1S/C17H36N4/c1-4-18-17(16-7-5-6-8-16)15-21-13-11-20(12-14-21)10-9-19(2)3/h16-18H,4-15H2,1-3H3
InChIKeyWYKIUOSVSOTVRA-UHFFFAOYSA-N
XLogP1.33
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine
CID 104745994
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-cyclohexyl-2-(4-cyclopropylpiperazin-1-yl)-N-ethylethanamine
CID 104745275
1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 104746206
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 104746151
1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 104746276
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-dimethylpiperidin-3-amine
CID 104746634
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-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 104746160
1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine
CID 104746542

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine?
The IUPAC name of 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine (CID 104746000) is 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine.
What is the SMILES notation for 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine?
The canonical SMILES for 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine is CCNC(CN1CCN(CCN(C)C)CC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine?
The InChIKey is WYKIUOSVSOTVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-4-18-17(16-7-5-6-8-16)15-21-13-11-20(12-14-21)10-9-19(2)3/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine?
1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine has a molecular weight of 296.50 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine is sourced from PubChem (CID 104746000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).