3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

C14H27N3 — CID 79638527

IUPAC3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCCCCN(C)C1CCC(C#N)(NC(C)C)C1
InChIInChI=1S/C14H27N3/c1-5-6-9-17(4)13-7-8-14(10-13,11-15)16-12(2)3/h12-13,16H,5-10H2,1-4H3
InChIKeyZFKLALXBZWKXOB-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.53
Rot. Bonds6

About 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79638527) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID79638527
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCCCCN(C)C1CCC(C#N)(NC(C)C)C1
InChIInChI=1S/C14H27N3/c1-5-6-9-17(4)13-7-8-14(10-13,11-15)16-12(2)3/h12-13,16H,5-10H2,1-4H3
InChIKeyZFKLALXBZWKXOB-UHFFFAOYSA-N
XLogP2.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butyl(methyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79638526
3-[2-(dimethylamino)ethyl-propylamino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79640038
3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638696
3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625630
3-[butan-2-yl(butyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79628235
3-[2-ethoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 81061358
3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639177
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639452
3-[ethyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639608
3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 81061361
1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile
CID 117039628
methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649533

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 79638527) is 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is CCCCN(C)C1CCC(C#N)(NC(C)C)C1.
What is the InChIKey of 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is ZFKLALXBZWKXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-6-9-17(4)13-7-8-14(10-13,11-15)16-12(2)3/h12-13,16H,5-10H2,1-4H3.
What are the key properties of 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 237.39 g/mol, XLogP of 2.53, 6 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-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).