3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile

C14H25N3 — CID 79639179

IUPAC3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N(CC)CC2CC2)C1
InChIInChI=1S/C14H25N3/c1-3-16-14(11-15)8-7-13(9-14)17(4-2)10-12-5-6-12/h12-13,16H,3-10H2,1-2H3
InChIKeyJXSIGXAPPZAJMZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.14
Rot. Bonds6

About 3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile

3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile (PubChem CID 79639179) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
PubChem CID79639179
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N(CC)CC2CC2)C1
InChIInChI=1S/C14H25N3/c1-3-16-14(11-15)8-7-13(9-14)17(4-2)10-12-5-6-12/h12-13,16H,3-10H2,1-2H3
InChIKeyJXSIGXAPPZAJMZ-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 79639178
3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639512
1-(ethylamino)-3-[ethyl(2-ethylbutyl)amino]cyclopentane-1-carbonitrile
CID 79639672
3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625000
1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile
CID 79638847
3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79638951
1-(ethylamino)-3-[methyl-(4-methylcyclohexyl)amino]cyclopentane-1-carbonitrile
CID 79639067
3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639177
1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile
CID 79638563
1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639856
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626199
1-(cyclopropylamino)-3-[cyclopropylmethyl(propyl)amino]cyclohexane-1-carbonitrile
CID 79625729

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile (CID 79639179) is 3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(N(CC)CC2CC2)C1.
What is the InChIKey of 3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile?
The InChIKey is JXSIGXAPPZAJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-16-14(11-15)8-7-13(9-14)17(4-2)10-12-5-6-12/h12-13,16H,3-10H2,1-2H3.
What are the key properties of 3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile?
3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile has a molecular weight of 235.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).