3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile

C12H23N3 — CID 79638526

IUPAC3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCCCCN(C)C1CCC(C#N)(NC)C1
InChIInChI=1S/C12H23N3/c1-4-5-8-15(3)11-6-7-12(9-11,10-13)14-2/h11,14H,4-9H2,1-3H3
InChIKeyACSPWEOOGYHYNU-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.75
Rot. Bonds5

About 3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile

3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79638526) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79638526
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCCCCN(C)C1CCC(C#N)(NC)C1
InChIInChI=1S/C12H23N3/c1-4-5-8-15(3)11-6-7-12(9-11,10-13)14-2/h11,14H,4-9H2,1-3H3
InChIKeyACSPWEOOGYHYNU-UHFFFAOYSA-N
XLogP1.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638527
3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625630
3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639177
1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile
CID 117039628
1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile
CID 79638581
4-[3,3-dimethylbutyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
CID 117039629
3-[methyl(3,3,3-trifluoropropyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79638442
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79639666
1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639654
3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 81061361
4-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
CID 117039611
3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79640026

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile (CID 79638526) is 3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile is CCCCN(C)C1CCC(C#N)(NC)C1.
What is the InChIKey of 3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is ACSPWEOOGYHYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-5-8-15(3)11-6-7-12(9-11,10-13)14-2/h11,14H,4-9H2,1-3H3.
What are the key properties of 3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile?
3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 209.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).