2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile

C16H28N2O — CID 43611121

IUPAC2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N(C)C2CCOCC2)C1
InChIInChI=1S/C16H28N2O/c1-3-4-13-5-6-14(12-17)16(11-13)18(2)15-7-9-19-10-8-15/h13-16H,3-11H2,1-2H3
InChIKeySZPNAUISJRKRFT-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.21
Rot. Bonds4

About 2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile

2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile (PubChem CID 43611121) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile
PubChem CID43611121
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N(C)C2CCOCC2)C1
InChIInChI=1S/C16H28N2O/c1-3-4-13-5-6-14(12-17)16(11-13)18(2)15-7-9-19-10-8-15/h13-16H,3-11H2,1-2H3
InChIKeySZPNAUISJRKRFT-UHFFFAOYSA-N
XLogP3.21
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile
CID 43611137
2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 62861497
2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 55060731
2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 43291939
2-hydroxy-4-propylcyclohexane-1-carbonitrile
CID 43292878
2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide
CID 61451259
2-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile
CID 43291824
2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile
CID 43585983
2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carbonitrile
CID 82738621
2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile
CID 63512784
4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile
CID 43572083
2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63069511

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile (CID 43611121) is 2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)C(N(C)C2CCOCC2)C1.
What is the InChIKey of 2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile?
The InChIKey is SZPNAUISJRKRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-4-13-5-6-14(12-17)16(11-13)18(2)15-7-9-19-10-8-15/h13-16H,3-11H2,1-2H3.
What are the key properties of 2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile?
2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile has a molecular weight of 264.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-4-yl)amino]-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43611121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).