2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile

C11H18N2O — CID 14194817

IUPAC2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile
SMILESC=CC1(O)CCCCC1N(C)CC#N
InChIInChI=1S/C11H18N2O/c1-3-11(14)7-5-4-6-10(11)13(2)9-8-12/h3,10,14H,1,4-7,9H2,2H3
InChIKeyMNSAEZSIPKJHQM-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.30
Rot. Bonds3

About 2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile

2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile (PubChem CID 14194817) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile.

Molecular Properties

Compound Name2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile
PubChem CID14194817
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile
SMILESC=CC1(O)CCCCC1N(C)CC#N
InChIInChI=1S/C11H18N2O/c1-3-11(14)7-5-4-6-10(11)13(2)9-8-12/h3,10,14H,1,4-7,9H2,2H3
InChIKeyMNSAEZSIPKJHQM-UHFFFAOYSA-N
XLogP1.30
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile?
The IUPAC name of 2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile (CID 14194817) is 2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile.
What is the SMILES notation for 2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile?
The canonical SMILES for 2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile is C=CC1(O)CCCCC1N(C)CC#N.
What is the InChIKey of 2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile?
The InChIKey is MNSAEZSIPKJHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-11(14)7-5-4-6-10(11)13(2)9-8-12/h3,10,14H,1,4-7,9H2,2H3.
What are the key properties of 2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile?
2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile has a molecular weight of 194.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile is sourced from PubChem (CID 14194817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).