3-amino-4,4-dimethylpentanenitrile

C7H14N2 — CID 87235044

IUPAC3-amino-4,4-dimethylpentanenitrile
SMILESCC(C)(C)C(N)CC#N
InChIInChI=1S/C7H14N2/c1-7(2,3)6(9)4-5-8/h6H,4,9H2,1-3H3
InChIKeyZCKCTEXDANXACE-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.27
Rot. Bonds1

About 3-amino-4,4-dimethylpentanenitrile

3-amino-4,4-dimethylpentanenitrile (PubChem CID 87235044) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-amino-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name3-amino-4,4-dimethylpentanenitrile
PubChem CID87235044
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-amino-4,4-dimethylpentanenitrile
SMILESCC(C)(C)C(N)CC#N
InChIInChI=1S/C7H14N2/c1-7(2,3)6(9)4-5-8/h6H,4,9H2,1-3H3
InChIKeyZCKCTEXDANXACE-UHFFFAOYSA-N
XLogP1.27
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-3,3-dimethylbutanenitrile
CID 11378465
2-Amino-4-methylpentanenitrile
CID 13352438
2-Amino-4-methylpentanenitrile hydrochloride
CID 13352439
(2S)-2-amino-3,3-dimethylbutanenitrile
CID 55282118
(3S)-3-amino-2,2-dimethylbutanenitrile hydrochloride
CID 86659448
(2S)-2-amino-4-methylpentanenitrile
CID 11789166
(3S)-3-amino-2,2-dimethylbutanenitrile
CID 57438048
3-Amino-1-methylcyclobutane-1-carbonitrile;hydrochloride
CID 139562380
(2R)-2-amino-3,3-dimethylbutanenitrile;hydrochloride
CID 55285720
3-Amino-2,2-dimethylpentanenitrile
CID 17844879
(2S)-2-amino-4-methylpentanenitrile;hydrochloride
CID 18436321
2-Aminopropane-1,1,1-tricarbonitrile
CID 20499813

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethylpentanenitrile?
The IUPAC name of 3-amino-4,4-dimethylpentanenitrile (CID 87235044) is 3-amino-4,4-dimethylpentanenitrile.
What is the SMILES notation for 3-amino-4,4-dimethylpentanenitrile?
The canonical SMILES for 3-amino-4,4-dimethylpentanenitrile is CC(C)(C)C(N)CC#N.
What is the InChIKey of 3-amino-4,4-dimethylpentanenitrile?
The InChIKey is ZCKCTEXDANXACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2,3)6(9)4-5-8/h6H,4,9H2,1-3H3.
What are the key properties of 3-amino-4,4-dimethylpentanenitrile?
3-amino-4,4-dimethylpentanenitrile has a molecular weight of 126.20 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethylpentanenitrile is sourced from PubChem (CID 87235044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).