3-cyclohexyliminopropanenitrile

C9H14N2 — CID 54514865

IUPAC3-cyclohexyliminopropanenitrile
SMILESN#CC/C=N/C1CCCCC1
InChIInChI=1S/C9H14N2/c10-7-4-8-11-9-5-2-1-3-6-9/h8-9H,1-6H2/b11-8+
InChIKeyYLSFYZPKKGBIJR-DHZHZOJOSA-N
MW150.22 g/mol
LogP2.30
Rot. Bonds2

About 3-cyclohexyliminopropanenitrile

3-cyclohexyliminopropanenitrile (PubChem CID 54514865) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-cyclohexyliminopropanenitrile.

Molecular Properties

Compound Name3-cyclohexyliminopropanenitrile
PubChem CID54514865
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-cyclohexyliminopropanenitrile
SMILESN#CC/C=N/C1CCCCC1
InChIInChI=1S/C9H14N2/c10-7-4-8-11-9-5-2-1-3-6-9/h8-9H,1-6H2/b11-8+
InChIKeyYLSFYZPKKGBIJR-DHZHZOJOSA-N
XLogP2.30
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexylpropan-1-imine
CID 3489363
3-cyclohexyliminopropanamide
CID 91368526
3-cyclohexyliminopropanethioamide
CID 91161039
2-cyanoethylidenecyanamide
CID 21427158
4-cyclohexylpent-3-enenitrile
CID 118480792
2-cyclohexyliminoacetaldehyde
CID 87851899
carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron
CID 533593
2-(cyclohexylmethylideneamino)acetonitrile
CID 125476326
N-cyclopentyl-1-cyclopropylmethanimine
CID 135072127
2-cycloundecylacetonitrile
CID 89159933
N'-cycloundecylmethanediimine
CID 166908646
3-cyclopentyliminoprop-1-en-1-one
CID 13170651

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyliminopropanenitrile?
The IUPAC name of 3-cyclohexyliminopropanenitrile (CID 54514865) is 3-cyclohexyliminopropanenitrile.
What is the SMILES notation for 3-cyclohexyliminopropanenitrile?
The canonical SMILES for 3-cyclohexyliminopropanenitrile is N#CC/C=N/C1CCCCC1.
What is the InChIKey of 3-cyclohexyliminopropanenitrile?
The InChIKey is YLSFYZPKKGBIJR-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H14N2/c10-7-4-8-11-9-5-2-1-3-6-9/h8-9H,1-6H2/b11-8+.
What are the key properties of 3-cyclohexyliminopropanenitrile?
3-cyclohexyliminopropanenitrile has a molecular weight of 150.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyliminopropanenitrile is sourced from PubChem (CID 54514865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).