4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile

C12H22N2O — CID 115652659

IUPAC4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile
SMILESCC(C)(CCC#N)CNC1CCOCC1
InChIInChI=1S/C12H22N2O/c1-12(2,6-3-7-13)10-14-11-4-8-15-9-5-11/h11,14H,3-6,8-10H2,1-2H3
InChIKeyGRIPBMYQCSFMPG-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.08
Rot. Bonds5

About 4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile

4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile (PubChem CID 115652659) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile
PubChem CID115652659
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile
SMILESCC(C)(CCC#N)CNC1CCOCC1
InChIInChI=1S/C12H22N2O/c1-12(2,6-3-7-13)10-14-11-4-8-15-9-5-11/h11,14H,3-6,8-10H2,1-2H3
InChIKeyGRIPBMYQCSFMPG-UHFFFAOYSA-N
XLogP2.08
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopentylamino)-4,4-dimethylpentanenitrile
CID 115910566
5-(cyclohexylamino)-4,4-dimethylpentanenitrile
CID 115651344
5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile
CID 113242345
5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile
CID 115652692
4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile
CID 86796204
4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile
CID 115651429
5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile
CID 115652002
N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine
CID 115664541
5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile
CID 113489890
2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol
CID 66180282
N-(2,2,5,5-tetramethylhexyl)cyclopropanamine
CID 62725148
2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid
CID 79624339

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile (CID 115652659) is 4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile is CC(C)(CCC#N)CNC1CCOCC1.
What is the InChIKey of 4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile?
The InChIKey is GRIPBMYQCSFMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,6-3-7-13)10-14-11-4-8-15-9-5-11/h11,14H,3-6,8-10H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile?
4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile has a molecular weight of 210.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile is sourced from PubChem (CID 115652659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).