2-[methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile

C16H28N2O — CID 61432029

IUPAC2-[methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N(C)CC2CCCO2)C1
InChIInChI=1S/C16H28N2O/c1-3-5-13-7-8-14(11-17)16(10-13)18(2)12-15-6-4-9-19-15/h13-16H,3-10,12H2,1-2H3
InChIKeyGQDHBNXHFKCSLH-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.21
Rot. Bonds5

About 2-[methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile

2-[methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile (PubChem CID 61432029) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile
PubChem CID61432029
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N(C)CC2CCCO2)C1
InChIInChI=1S/C16H28N2O/c1-3-5-13-7-8-14(11-17)16(10-13)18(2)12-15-6-4-9-19-15/h13-16H,3-10,12H2,1-2H3
InChIKeyGQDHBNXHFKCSLH-UHFFFAOYSA-N
XLogP3.21
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile (CID 61432029) is 2-[methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)C(N(C)CC2CCCO2)C1.
What is the InChIKey of 2-[methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile?
The InChIKey is GQDHBNXHFKCSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-5-13-7-8-14(11-17)16(10-13)18(2)12-15-6-4-9-19-15/h13-16H,3-10,12H2,1-2H3.
What are the key properties of 2-[methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile?
2-[methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile has a molecular weight of 264.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 61432029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).