2-[ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile

C15H26N2O — CID 61434209

IUPAC2-[ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
SMILESCCN(CC1CCCO1)C1CC(C)CCC1C#N
InChIInChI=1S/C15H26N2O/c1-3-17(11-14-5-4-8-18-14)15-9-12(2)6-7-13(15)10-16/h12-15H,3-9,11H2,1-2H3
InChIKeyMXBVZMYRVNFFSE-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.82
Rot. Bonds4

About 2-[ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile

2-[ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile (PubChem CID 61434209) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
PubChem CID61434209
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
SMILESCCN(CC1CCCO1)C1CC(C)CCC1C#N
InChIInChI=1S/C15H26N2O/c1-3-17(11-14-5-4-8-18-14)15-9-12(2)6-7-13(15)10-16/h12-15H,3-9,11H2,1-2H3
InChIKeyMXBVZMYRVNFFSE-UHFFFAOYSA-N
XLogP2.82
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile (CID 61434209) is 2-[ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile is CCN(CC1CCCO1)C1CC(C)CCC1C#N.
What is the InChIKey of 2-[ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The InChIKey is MXBVZMYRVNFFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-17(11-14-5-4-8-18-14)15-9-12(2)6-7-13(15)10-16/h12-15H,3-9,11H2,1-2H3.
What are the key properties of 2-[ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile?
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 61434209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).