1-aminocyclohexane-1-carbonitrile;2-amino-2,3-dimethylbutanenitrile

C13H24N4 — CID 21403559

IUPAC1-aminocyclohexane-1-carbonitrile;2-amino-2,3-dimethylbutanenitrile
SMILESCC(C)C(C)(N)C#N.N#CC1(N)CCCCC1
InChIInChI=1S/C7H12N2.C6H12N2/c8-6-7(9)4-2-1-3-5-7;1-5(2)6(3,8)4-7/h1-5,9H2;5H,8H2,1-3H3
InChIKeyDVTCXFWXSZXEHD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.05
Rot. Bonds1

About 1-aminocyclohexane-1-carbonitrile;2-amino-2,3-dimethylbutanenitrile

1-aminocyclohexane-1-carbonitrile;2-amino-2,3-dimethylbutanenitrile (PubChem CID 21403559) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-aminocyclohexane-1-carbonitrile;2-amino-2,3-dimethylbutanenitrile.

Molecular Properties

Compound Name1-aminocyclohexane-1-carbonitrile;2-amino-2,3-dimethylbutanenitrile
PubChem CID21403559
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-aminocyclohexane-1-carbonitrile;2-amino-2,3-dimethylbutanenitrile
SMILESCC(C)C(C)(N)C#N.N#CC1(N)CCCCC1
InChIInChI=1S/C7H12N2.C6H12N2/c8-6-7(9)4-2-1-3-5-7;1-5(2)6(3,8)4-7/h1-5,9H2;5H,8H2,1-3H3
InChIKeyDVTCXFWXSZXEHD-UHFFFAOYSA-N
XLogP2.05
TPSA99.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-aminocyclohexane-1-carbonitrile;2-amino-2,3-dimethylbutanenitrile?
The IUPAC name of 1-aminocyclohexane-1-carbonitrile;2-amino-2,3-dimethylbutanenitrile (CID 21403559) is 1-aminocyclohexane-1-carbonitrile;2-amino-2,3-dimethylbutanenitrile.
What is the SMILES notation for 1-aminocyclohexane-1-carbonitrile;2-amino-2,3-dimethylbutanenitrile?
The canonical SMILES for 1-aminocyclohexane-1-carbonitrile;2-amino-2,3-dimethylbutanenitrile is CC(C)C(C)(N)C#N.N#CC1(N)CCCCC1.
What is the InChIKey of 1-aminocyclohexane-1-carbonitrile;2-amino-2,3-dimethylbutanenitrile?
The InChIKey is DVTCXFWXSZXEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C6H12N2/c8-6-7(9)4-2-1-3-5-7;1-5(2)6(3,8)4-7/h1-5,9H2;5H,8H2,1-3H3.
What are the key properties of 1-aminocyclohexane-1-carbonitrile;2-amino-2,3-dimethylbutanenitrile?
1-aminocyclohexane-1-carbonitrile;2-amino-2,3-dimethylbutanenitrile has a molecular weight of 236.36 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclohexane-1-carbonitrile;2-amino-2,3-dimethylbutanenitrile is sourced from PubChem (CID 21403559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).