3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile

C14H28N4 — CID 79639177

IUPAC3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N(C)CCCN(C)C)C1
InChIInChI=1S/C14H28N4/c1-5-16-14(12-15)8-7-13(11-14)18(4)10-6-9-17(2)3/h13,16H,5-11H2,1-4H3
InChIKeyGIBCNPVTLCRRED-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.29
Rot. Bonds7

About 3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile

3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile (PubChem CID 79639177) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile
PubChem CID79639177
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N(C)CCCN(C)C)C1
InChIInChI=1S/C14H28N4/c1-5-16-14(12-15)8-7-13(11-14)18(4)10-6-9-17(2)3/h13,16H,5-11H2,1-4H3
InChIKeyGIBCNPVTLCRRED-UHFFFAOYSA-N
XLogP1.29
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79638526
1-(ethylamino)-3-[methyl-(4-methylcyclohexyl)amino]cyclopentane-1-carbonitrile
CID 79639067
3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638527
1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile
CID 79638847
3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79638951
3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625630
3-[methyl(3,3,3-trifluoropropyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79638442
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626199
1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carbonitrile
CID 81062280
3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639179
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile (CID 79639177) is 3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(N(C)CCCN(C)C)C1.
What is the InChIKey of 3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile?
The InChIKey is GIBCNPVTLCRRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-16-14(12-15)8-7-13(11-14)18(4)10-6-9-17(2)3/h13,16H,5-11H2,1-4H3.
What are the key properties of 3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile?
3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile has a molecular weight of 252.41 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).