5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile

C15H28N2O — CID 65255331

IUPAC5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN(CCO)C1CCCCC1
InChIInChI=1S/C15H28N2O/c1-15(2,13-16)9-6-10-17(11-12-18)14-7-4-3-5-8-14/h14,18H,3-12H2,1-2H3
InChIKeyYUJFQZWZRRKDTR-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.94
Rot. Bonds7

About 5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile

5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile (PubChem CID 65255331) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
PubChem CID65255331
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN(CCO)C1CCCCC1
InChIInChI=1S/C15H28N2O/c1-15(2,13-16)9-6-10-17(11-12-18)14-7-4-3-5-8-14/h14,18H,3-12H2,1-2H3
InChIKeyYUJFQZWZRRKDTR-UHFFFAOYSA-N
XLogP2.94
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile
CID 102848297
5-(dicyclohexylamino)-2,2-dimethylpentanenitrile
CID 65257781
2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol
CID 106708020
4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile
CID 65251709
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile
CID 111565121
2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol
CID 102676970
6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709912
5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
CID 65258525
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide
CID 106712040
2-[3-chloropropyl(cyclopentyl)amino]ethanol
CID 55208194

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile (CID 65255331) is 5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCN(CCO)C1CCCCC1.
What is the InChIKey of 5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile?
The InChIKey is YUJFQZWZRRKDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,13-16)9-6-10-17(11-12-18)14-7-4-3-5-8-14/h14,18H,3-12H2,1-2H3.
What are the key properties of 5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile?
5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile has a molecular weight of 252.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65255331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).