5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile

C14H20N2O — CID 114331783

IUPAC5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNCc1ccc(O)cc1
InChIInChI=1S/C14H20N2O/c1-14(2,11-15)8-3-9-16-10-12-4-6-13(17)7-5-12/h4-7,16-17H,3,8-10H2,1-2H3
InChIKeyBQBVXSQUMCAABR-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.81
Rot. Bonds6

About 5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile

5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile (PubChem CID 114331783) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile
PubChem CID114331783
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNCc1ccc(O)cc1
InChIInChI=1S/C14H20N2O/c1-14(2,11-15)8-3-9-16-10-12-4-6-13(17)7-5-12/h4-7,16-17H,3,8-10H2,1-2H3
InChIKeyBQBVXSQUMCAABR-UHFFFAOYSA-N
XLogP2.81
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[3-(methoxymethyl)phenyl]methylamino]-2,2-dimethylpentanenitrile
CID 65254192
4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol
CID 22756076
2,2-dimethyl-5-[4-(propylaminomethyl)phenoxy]pentanenitrile
CID 65256293
2,2-dimethyl-5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
CID 65254097
4-[(nonadecylamino)methyl]phenol
CID 70039599
5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305
4-[(4,4,4-trifluorobutylamino)methyl]benzonitrile
CID 79039248
2,2-dimethyl-4-[4-(propylaminomethyl)phenoxy]butanenitrile
CID 65250110
4-[(4-bromobutylamino)methyl]phenol
CID 106844801
4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 61239050
6-(4-hydroxyphenyl)sulfanyl-2,2-dimethylhexanenitrile
CID 106713676
2,2-dimethyl-6-[(2-methylphenyl)methylamino]hexanenitrile
CID 106709115

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile (CID 114331783) is 5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCNCc1ccc(O)cc1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile?
The InChIKey is BQBVXSQUMCAABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,11-15)8-3-9-16-10-12-4-6-13(17)7-5-12/h4-7,16-17H,3,8-10H2,1-2H3.
What are the key properties of 5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile?
5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 114331783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).