2-(cyclohexylmethylideneamino)acetonitrile

C9H14N2 — CID 125476326

IUPAC2-(cyclohexylmethylideneamino)acetonitrile
SMILESN#CC/N=C/C1CCCCC1
InChIInChI=1S/C9H14N2/c10-6-7-11-8-9-4-2-1-3-5-9/h8-9H,1-5,7H2/b11-8+
InChIKeyXZHAHGSLXPXRTD-DHZHZOJOSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds2

About 2-(cyclohexylmethylideneamino)acetonitrile

2-(cyclohexylmethylideneamino)acetonitrile (PubChem CID 125476326) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(cyclohexylmethylideneamino)acetonitrile.

Molecular Properties

Compound Name2-(cyclohexylmethylideneamino)acetonitrile
PubChem CID125476326
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-(cyclohexylmethylideneamino)acetonitrile
SMILESN#CC/N=C/C1CCCCC1
InChIInChI=1S/C9H14N2/c10-6-7-11-8-9-4-2-1-3-5-9/h8-9H,1-5,7H2/b11-8+
InChIKeyXZHAHGSLXPXRTD-DHZHZOJOSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylideneamino)acetonitrile?
The IUPAC name of 2-(cyclohexylmethylideneamino)acetonitrile (CID 125476326) is 2-(cyclohexylmethylideneamino)acetonitrile.
What is the SMILES notation for 2-(cyclohexylmethylideneamino)acetonitrile?
The canonical SMILES for 2-(cyclohexylmethylideneamino)acetonitrile is N#CC/N=C/C1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethylideneamino)acetonitrile?
The InChIKey is XZHAHGSLXPXRTD-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H14N2/c10-6-7-11-8-9-4-2-1-3-5-9/h8-9H,1-5,7H2/b11-8+.
What are the key properties of 2-(cyclohexylmethylideneamino)acetonitrile?
2-(cyclohexylmethylideneamino)acetonitrile has a molecular weight of 150.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylideneamino)acetonitrile is sourced from PubChem (CID 125476326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).