2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile

C14H24N2O — CID 71988924

IUPAC2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile
SMILESCC1CCC(N(CC#N)CC2CCCO2)CC1
InChIInChI=1S/C14H24N2O/c1-12-4-6-13(7-5-12)16(9-8-15)11-14-3-2-10-17-14/h12-14H,2-7,9-11H2,1H3
InChIKeyKUUNLTOFASIXSP-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.57
Rot. Bonds4

About 2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile

2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile (PubChem CID 71988924) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile
PubChem CID71988924
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile
SMILESCC1CCC(N(CC#N)CC2CCCO2)CC1
InChIInChI=1S/C14H24N2O/c1-12-4-6-13(7-5-12)16(9-8-15)11-14-3-2-10-17-14/h12-14H,2-7,9-11H2,1H3
InChIKeyKUUNLTOFASIXSP-UHFFFAOYSA-N
XLogP2.57
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile?
The IUPAC name of 2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile (CID 71988924) is 2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile.
What is the SMILES notation for 2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile?
The canonical SMILES for 2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile is CC1CCC(N(CC#N)CC2CCCO2)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile?
The InChIKey is KUUNLTOFASIXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-4-6-13(7-5-12)16(9-8-15)11-14-3-2-10-17-14/h12-14H,2-7,9-11H2,1H3.
What are the key properties of 2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile?
2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile is sourced from PubChem (CID 71988924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).