2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile

C18H34N2O — CID 79376641

IUPAC2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
SMILESCCN(CC(C)(C)O)C1CC(C(C)(C)CC)CCC1C#N
InChIInChI=1S/C18H34N2O/c1-7-17(3,4)15-10-9-14(12-19)16(11-15)20(8-2)13-18(5,6)21/h14-16,21H,7-11,13H2,1-6H3
InChIKeyDKUNNZHABCFPEB-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.82
Rot. Bonds6

About 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile (PubChem CID 79376641) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
PubChem CID79376641
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
SMILESCCN(CC(C)(C)O)C1CC(C(C)(C)CC)CCC1C#N
InChIInChI=1S/C18H34N2O/c1-7-17(3,4)15-10-9-14(12-19)16(11-15)20(8-2)13-18(5,6)21/h14-16,21H,7-11,13H2,1-6H3
InChIKeyDKUNNZHABCFPEB-UHFFFAOYSA-N
XLogP3.82
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 55060778
4-tert-butyl-2-[cyclopropylmethyl(ethyl)amino]cyclohexane-1-carbonitrile
CID 63956800
4-(2-methylbutan-2-yl)-2-[methyl(3-methylbutyl)amino]cyclohexane-1-carbonitrile
CID 63513627
4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile
CID 43611137
2-[3-methoxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 62985705
4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile
CID 61425333
2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-methylcyclohexane-1-carbonitrile
CID 79381676
2-(3-hydroxybutan-2-ylsulfanyl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 107770648
4-(2-methylbutan-2-yl)-2-prop-2-ynoxycyclohexane-1-carbonitrile
CID 43292800
2-(2-methoxyethoxy)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 43292505
4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexane-1-carbonitrile
CID 43291816
1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine
CID 63468083

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile (CID 79376641) is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile is CCN(CC(C)(C)O)C1CC(C(C)(C)CC)CCC1C#N.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
The InChIKey is DKUNNZHABCFPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-7-17(3,4)15-10-9-14(12-19)16(11-15)20(8-2)13-18(5,6)21/h14-16,21H,7-11,13H2,1-6H3.
What are the key properties of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile has a molecular weight of 294.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79376641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).