1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile

C17H25N3 — CID 79565614

IUPAC1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCN(C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-3-19-17(14-18)12-7-8-15(17)11-13-20(2)16-9-5-4-6-10-16/h4-6,9-10,15,19H,3,7-8,11-13H2,1-2H3
InChIKeyUYVGFCFWUQEMOL-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.18
Rot. Bonds6

About 1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile

1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79565614) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile
PubChem CID79565614
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCN(C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-3-19-17(14-18)12-7-8-15(17)11-13-20(2)16-9-5-4-6-10-16/h4-6,9-10,15,19H,3,7-8,11-13H2,1-2H3
InChIKeyUYVGFCFWUQEMOL-UHFFFAOYSA-N
XLogP3.18
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile
CID 79565415
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565829
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565774
1-(ethylamino)-2-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565185
2-[2-[3-(dimethylamino)propyl-ethylamino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 102996420
2-[2-(2,6-difluorophenoxy)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 81265068
1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79850591
1-(ethylamino)-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79575972
2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79564870
2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578119
2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79576704
2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79565732

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile (CID 79565614) is 1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile is CCNC1(C#N)CCCC1CCN(C)c1ccccc1.
What is the InChIKey of 1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is UYVGFCFWUQEMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-19-17(14-18)12-7-8-15(17)11-13-20(2)16-9-5-4-6-10-16/h4-6,9-10,15,19H,3,7-8,11-13H2,1-2H3.
What are the key properties of 1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile?
1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 271.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79565614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).