3-amino-3-methylcyclohexane-1-carbonitrile

C8H14N2 — CID 11116140

IUPAC3-amino-3-methylcyclohexane-1-carbonitrile
SMILESCC1(N)CCCC(C#N)C1
InChIInChI=1S/C8H14N2/c1-8(10)4-2-3-7(5-8)6-9/h7H,2-5,10H2,1H3
InChIKeyCSTVFSUGSPHAHG-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.42
Rot. Bonds

About 3-amino-3-methylcyclohexane-1-carbonitrile

3-amino-3-methylcyclohexane-1-carbonitrile (PubChem CID 11116140) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-amino-3-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-amino-3-methylcyclohexane-1-carbonitrile
PubChem CID11116140
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-amino-3-methylcyclohexane-1-carbonitrile
SMILESCC1(N)CCCC(C#N)C1
InChIInChI=1S/C8H14N2/c1-8(10)4-2-3-7(5-8)6-9/h7H,2-5,10H2,1H3
InChIKeyCSTVFSUGSPHAHG-UHFFFAOYSA-N
XLogP1.42
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methylcyclohexane-1-carbonitrile?
The IUPAC name of 3-amino-3-methylcyclohexane-1-carbonitrile (CID 11116140) is 3-amino-3-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 3-amino-3-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 3-amino-3-methylcyclohexane-1-carbonitrile is CC1(N)CCCC(C#N)C1.
What is the InChIKey of 3-amino-3-methylcyclohexane-1-carbonitrile?
The InChIKey is CSTVFSUGSPHAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(10)4-2-3-7(5-8)6-9/h7H,2-5,10H2,1H3.
What are the key properties of 3-amino-3-methylcyclohexane-1-carbonitrile?
3-amino-3-methylcyclohexane-1-carbonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 11116140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).