4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile

C16H30N2O — CID 61425333

IUPAC4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile
SMILESCCCN(CCO)C1CC(C(C)(C)C)CCC1C#N
InChIInChI=1S/C16H30N2O/c1-5-8-18(9-10-19)15-11-14(16(2,3)4)7-6-13(15)12-17/h13-15,19H,5-11H2,1-4H3
InChIKeyPSASUEUFRQGVBQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.05
Rot. Bonds5

About 4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile

4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile (PubChem CID 61425333) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile
PubChem CID61425333
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile
SMILESCCCN(CCO)C1CC(C(C)(C)C)CCC1C#N
InChIInChI=1S/C16H30N2O/c1-5-8-18(9-10-19)15-11-14(16(2,3)4)7-6-13(15)12-17/h13-15,19H,5-11H2,1-4H3
InChIKeyPSASUEUFRQGVBQ-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-[cyclopropylmethyl(ethyl)amino]cyclohexane-1-carbonitrile
CID 63956800
2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile
CID 43291990
4-tert-butyl-2-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carbonitrile
CID 63693484
4-tert-butyl-2-[2-ethoxyethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 81056596
4-tert-butyl-2-[cyclopentylmethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 63632465
4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 63513459
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 79376641
4-tert-butyl-2-[cycloheptyl(methyl)amino]cyclohexane-1-carbonitrile
CID 43614074
4-tert-butyl-2-[methyl(1-methylsulfanylbutan-2-yl)amino]cyclohexane-1-carbonitrile
CID 115985822
4-tert-butyl-2-(1-hydroxypropan-2-ylsulfanyl)cyclohexane-1-carbonitrile
CID 113373823
4-tert-butyl-2-ethoxycyclohexane-1-carbonitrile
CID 43292132
4-tert-butyl-2-iodocyclohexane-1-carbonitrile
CID 14510688

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile (CID 61425333) is 4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile is CCCN(CCO)C1CC(C(C)(C)C)CCC1C#N.
What is the InChIKey of 4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is PSASUEUFRQGVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-8-18(9-10-19)15-11-14(16(2,3)4)7-6-13(15)12-17/h13-15,19H,5-11H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile?
4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 266.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 61425333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).