2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile

C16H30N2O — CID 55060778

IUPAC2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
SMILESCCC(C)(C)C1CCC(C#N)C(N(C)CC(C)O)C1
InChIInChI=1S/C16H30N2O/c1-6-16(3,4)14-8-7-13(10-17)15(9-14)18(5)11-12(2)19/h12-15,19H,6-9,11H2,1-5H3
InChIKeyHEKNUIRAWUUWKX-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.04
Rot. Bonds5

About 2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile

2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile (PubChem CID 55060778) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
PubChem CID55060778
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
SMILESCCC(C)(C)C1CCC(C#N)C(N(C)CC(C)O)C1
InChIInChI=1S/C16H30N2O/c1-6-16(3,4)14-8-7-13(10-17)15(9-14)18(5)11-12(2)19/h12-15,19H,6-9,11H2,1-5H3
InChIKeyHEKNUIRAWUUWKX-UHFFFAOYSA-N
XLogP3.04
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylbutan-2-yl)-2-[methyl(3-methylbutyl)amino]cyclohexane-1-carbonitrile
CID 63513627
2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 55060731
2-[3-methoxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 62985705
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 79376641
4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile
CID 43611137
2-(3-hydroxybutan-2-ylsulfanyl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 107770648
2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile
CID 43291990
4-(2-methylbutan-2-yl)-2-(4-methylpentoxy)cyclohexane-1-carbonitrile
CID 43292743
4-tert-butyl-2-[cyclopentylmethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 63632465
4-tert-butyl-2-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carbonitrile
CID 63693484
4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 63513459
4-tert-butyl-2-[2-ethoxyethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 81056596

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile (CID 55060778) is 2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile is CCC(C)(C)C1CCC(C#N)C(N(C)CC(C)O)C1.
What is the InChIKey of 2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
The InChIKey is HEKNUIRAWUUWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-6-16(3,4)14-8-7-13(10-17)15(9-14)18(5)11-12(2)19/h12-15,19H,6-9,11H2,1-5H3.
What are the key properties of 2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile has a molecular weight of 266.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 55060778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).