3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile

C15H30N4 — CID 79639666

IUPAC3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(N(CCN(C)C)CC(C)C)C1
InChIInChI=1S/C15H30N4/c1-13(2)11-19(9-8-18(4)5)14-6-7-15(10-14,12-16)17-3/h13-14,17H,6-11H2,1-5H3
InChIKeyHVBDDHHRESYXJR-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.54
Rot. Bonds7

About 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile

3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79639666) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79639666
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(N(CCN(C)C)CC(C)C)C1
InChIInChI=1S/C15H30N4/c1-13(2)11-19(9-8-18(4)5)14-6-7-15(10-14,12-16)17-3/h13-14,17H,6-11H2,1-5H3
InChIKeyHVBDDHHRESYXJR-UHFFFAOYSA-N
XLogP1.54
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79640026
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626199
3-[2-(dimethylamino)ethyl-propylamino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79640038
1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile
CID 117039628
[3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 79640784
1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625349
3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79638526
4-[3,3-dimethylbutyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
CID 117039629
1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile
CID 79638581
1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile
CID 79638560
1-(methylamino)-3-(2-methylpropylsulfanyl)cyclopentane-1-carbonitrile
CID 79649504
3-[ethyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639608

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile (CID 79639666) is 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile is CNC1(C#N)CCC(N(CCN(C)C)CC(C)C)C1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is HVBDDHHRESYXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-13(2)11-19(9-8-18(4)5)14-6-7-15(10-14,12-16)17-3/h13-14,17H,6-11H2,1-5H3.
What are the key properties of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile?
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 266.43 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).