1-amino-3,4-dimethylcyclohexane-1-carbonitrile

C9H16N2 — CID 64745262

IUPAC1-amino-3,4-dimethylcyclohexane-1-carbonitrile
SMILESCC1CCC(N)(C#N)CC1C
InChIInChI=1S/C9H16N2/c1-7-3-4-9(11,6-10)5-8(7)2/h7-8H,3-5,11H2,1-2H3
InChIKeyHSIVHQLUXOUPOE-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.66
Rot. Bonds

About 1-amino-3,4-dimethylcyclohexane-1-carbonitrile

1-amino-3,4-dimethylcyclohexane-1-carbonitrile (PubChem CID 64745262) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-amino-3,4-dimethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-3,4-dimethylcyclohexane-1-carbonitrile
PubChem CID64745262
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-amino-3,4-dimethylcyclohexane-1-carbonitrile
SMILESCC1CCC(N)(C#N)CC1C
InChIInChI=1S/C9H16N2/c1-7-3-4-9(11,6-10)5-8(7)2/h7-8H,3-5,11H2,1-2H3
InChIKeyHSIVHQLUXOUPOE-UHFFFAOYSA-N
XLogP1.66
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile
CID 30072442
(1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine
CID 124508954
5-amino-1,2,3,3a,4,6,7,7a-octahydroisoindole-5-carbonitrile
CID 130870168
3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine
CID 64733574
1-amino-4-(methylsulfanylmethyl)cyclohexane-1-carbonitrile
CID 130762628
2-(1-hydroxy-3,4-dimethylcyclohexyl)propanenitrile
CID 79131410
3-amino-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonane-3-carbonitrile
CID 171936484
1-amino-3-methoxycyclobutane-1-carbonitrile
CID 106822374
4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide
CID 115151288
(2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine
CID 130488637
2-(1-hydroxy-3,4-dimethylcyclohexyl)-2-methylbutanenitrile
CID 79133092
3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 64733955

Frequently Asked Questions

What is the IUPAC name of 1-amino-3,4-dimethylcyclohexane-1-carbonitrile?
The IUPAC name of 1-amino-3,4-dimethylcyclohexane-1-carbonitrile (CID 64745262) is 1-amino-3,4-dimethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-amino-3,4-dimethylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-amino-3,4-dimethylcyclohexane-1-carbonitrile is CC1CCC(N)(C#N)CC1C.
What is the InChIKey of 1-amino-3,4-dimethylcyclohexane-1-carbonitrile?
The InChIKey is HSIVHQLUXOUPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-3-4-9(11,6-10)5-8(7)2/h7-8H,3-5,11H2,1-2H3.
What are the key properties of 1-amino-3,4-dimethylcyclohexane-1-carbonitrile?
1-amino-3,4-dimethylcyclohexane-1-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,4-dimethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 64745262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).