5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile

C10H16N2 — CID 11744981

IUPAC5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile
SMILES[H]/N=C1\CC(C)(C)CC(C)(C#N)C1
InChIInChI=1S/C10H16N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h12H,4-6H2,1-3H3/b12-8+
InChIKeyGIPTWMWUUGMLIV-XYOKQWHBSA-N
MW164.25 g/mol
LogP2.75
Rot. Bonds

About 5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile

5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile (PubChem CID 11744981) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile
PubChem CID11744981
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile
SMILES[H]/N=C1\CC(C)(C)CC(C)(C#N)C1
InChIInChI=1S/C10H16N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h12H,4-6H2,1-3H3/b12-8+
InChIKeyGIPTWMWUUGMLIV-XYOKQWHBSA-N
XLogP2.75
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile?
The IUPAC name of 5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile (CID 11744981) is 5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile?
The canonical SMILES for 5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile is [H]/N=C1\CC(C)(C)CC(C)(C#N)C1.
What is the InChIKey of 5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile?
The InChIKey is GIPTWMWUUGMLIV-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H16N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h12H,4-6H2,1-3H3/b12-8+.
What are the key properties of 5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile?
5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-1,3,3-trimethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 11744981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).