3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile

C14H26N4 — CID 62367966

IUPAC3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H26N4/c1-2-16-13(11-15)12-17-7-9-18(10-8-17)14-5-3-4-6-14/h13-14,16H,2-10,12H2,1H3
InChIKeyOLWUTZOQXJZTDU-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.05
Rot. Bonds5

About 3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile

3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile (PubChem CID 62367966) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile
PubChem CID62367966
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H26N4/c1-2-16-13(11-15)12-17-7-9-18(10-8-17)14-5-3-4-6-14/h13-14,16H,2-10,12H2,1H3
InChIKeyOLWUTZOQXJZTDU-UHFFFAOYSA-N
XLogP1.05
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile
CID 63635760
1-cyclohexyl-2-(4-cyclopropylpiperazin-1-yl)-N-ethylethanamine
CID 104745275
2-(ethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanenitrile
CID 81198797
2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile
CID 114539184
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(propan-2-ylamino)propanenitrile
CID 63150560
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropyl-N-ethylethanamine
CID 79932111
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethylpentan-2-amine
CID 79938837
1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine
CID 107505660
1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)propanoic acid
CID 79935238
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine
CID 107505868
2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile
CID 63029058

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile?
The IUPAC name of 3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile (CID 62367966) is 3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile.
What is the SMILES notation for 3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile?
The canonical SMILES for 3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile is CCNC(C#N)CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile?
The InChIKey is OLWUTZOQXJZTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-2-16-13(11-15)12-17-7-9-18(10-8-17)14-5-3-4-6-14/h13-14,16H,2-10,12H2,1H3.
What are the key properties of 3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile?
3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile has a molecular weight of 250.39 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentylpiperazin-1-yl)-2-(ethylamino)propanenitrile is sourced from PubChem (CID 62367966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).