4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile

C14H26N2 — CID 115653658

IUPAC4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile
SMILESCC(C)(CCC#N)CNCC1(C)CCCC1
InChIInChI=1S/C14H26N2/c1-13(2,7-6-10-15)11-16-12-14(3)8-4-5-9-14/h16H,4-9,11-12H2,1-3H3
InChIKeyNCMAWADGFCSNSX-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.49
Rot. Bonds6

About 4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile

4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile (PubChem CID 115653658) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile
PubChem CID115653658
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile
SMILESCC(C)(CCC#N)CNCC1(C)CCCC1
InChIInChI=1S/C14H26N2/c1-13(2,7-6-10-15)11-16-12-14(3)8-4-5-9-14/h16H,4-9,11-12H2,1-3H3
InChIKeyNCMAWADGFCSNSX-UHFFFAOYSA-N
XLogP3.49
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 115426986
5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile
CID 113489890
1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol
CID 106146862
5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile
CID 115652002
2-methyl-1-[(1-methylcyclobutyl)methylamino]propan-2-ol
CID 103734842
3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine
CID 63821289
5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile
CID 115651171
1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055
4,4-dimethyl-5-(3-pyrrolidin-1-ylpropylamino)pentanenitrile
CID 115651688
2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol
CID 81418444
4,4-dimethyl-5-(pent-3-ynylamino)pentanenitrile
CID 116642917
5-(cyclopentylamino)-4,4-dimethylpentanenitrile
CID 115910566

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile (CID 115653658) is 4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile is CC(C)(CCC#N)CNCC1(C)CCCC1.
What is the InChIKey of 4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile?
The InChIKey is NCMAWADGFCSNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-13(2,7-6-10-15)11-16-12-14(3)8-4-5-9-14/h16H,4-9,11-12H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile?
4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile has a molecular weight of 222.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile is sourced from PubChem (CID 115653658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).