4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile

C13H24N2O — CID 102848297

IUPAC4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCN(CCCO)C1CCC1
InChIInChI=1S/C13H24N2O/c1-13(2,11-14)7-9-15(8-4-10-16)12-5-3-6-12/h12,16H,3-10H2,1-2H3
InChIKeyOSTOWZXZEPLKAE-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.16
Rot. Bonds7

About 4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile

4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile (PubChem CID 102848297) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile
PubChem CID102848297
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCN(CCCO)C1CCC1
InChIInChI=1S/C13H24N2O/c1-13(2,11-14)7-9-15(8-4-10-16)12-5-3-6-12/h12,16H,3-10H2,1-2H3
InChIKeyOSTOWZXZEPLKAE-UHFFFAOYSA-N
XLogP2.16
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
CID 65255331
4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile
CID 65251709
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol
CID 102676970
6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709912
5-(dicyclohexylamino)-2,2-dimethylpentanenitrile
CID 65257781
3-[cyclobutyl(2-fluoroethyl)amino]propan-1-ol
CID 102848338
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
3-[cyclobutyl-[3-(ethylamino)propyl]amino]propan-1-ol
CID 102869544
3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
CID 102848821
5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
CID 115672467
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile (CID 102848297) is 4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile is CC(C)(C#N)CCN(CCCO)C1CCC1.
What is the InChIKey of 4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile?
The InChIKey is OSTOWZXZEPLKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2,11-14)7-9-15(8-4-10-16)12-5-3-6-12/h12,16H,3-10H2,1-2H3.
What are the key properties of 4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile?
4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile has a molecular weight of 224.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 102848297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).