1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile

C12H21N3 — CID 79639654

IUPAC1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile
SMILESCCN(C)C1CCC(C#N)(NC2CC2)C1
InChIInChI=1S/C12H21N3/c1-3-15(2)11-6-7-12(8-11,9-13)14-10-4-5-10/h10-11,14H,3-8H2,1-2H3
InChIKeyQBHIIJJFGZOBSU-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.50
Rot. Bonds4

About 1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile (PubChem CID 79639654) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile
PubChem CID79639654
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile
SMILESCCN(C)C1CCC(C#N)(NC2CC2)C1
InChIInChI=1S/C12H21N3/c1-3-15(2)11-6-7-12(8-11,9-13)14-10-4-5-10/h10-11,14H,3-8H2,1-2H3
InChIKeyQBHIIJJFGZOBSU-UHFFFAOYSA-N
XLogP1.50
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.50
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
1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile
CID 79639453
1-(cyclopropylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclopentane-1-carbonitrile
CID 79639992
1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639855
3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 79626858
1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile
CID 79638560
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094
1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile
CID 79625966
1-(cyclopropylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclohexane-1-carbonitrile
CID 79850230
1-(cyclopropylamino)-3-[cyclopropylmethyl(propyl)amino]cyclohexane-1-carbonitrile
CID 79625729
3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79638526
3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638527

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile (CID 79639654) is 1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile is CCN(C)C1CCC(C#N)(NC2CC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is QBHIIJJFGZOBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-15(2)11-6-7-12(8-11,9-13)14-10-4-5-10/h10-11,14H,3-8H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 207.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).