4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile

C12H24N2O — CID 107851566

IUPAC4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCNCCCCCCO
InChIInChI=1S/C12H24N2O/c1-12(2,11-13)7-9-14-8-5-3-4-6-10-15/h14-15H,3-10H2,1-2H3
InChIKeyRVEJRBCUHOZWLW-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.07
Rot. Bonds9

About 4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile

4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile (PubChem CID 107851566) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile
PubChem CID107851566
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCNCCCCCCO
InChIInChI=1S/C12H24N2O/c1-12(2,11-13)7-9-14-8-5-3-4-6-10-15/h14-15H,3-10H2,1-2H3
InChIKeyRVEJRBCUHOZWLW-UHFFFAOYSA-N
XLogP2.07
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.07
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

4-(hexylamino)-2,2-dimethylbutanenitrile
CID 65253637
4-[2-(3-hydroxypropylsulfanyl)ethylamino]-2,2-dimethylbutanenitrile
CID 106310264
4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile
CID 65248790
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile
CID 106146761
5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile
CID 65254266
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
4-[(2,3-dihydroxy-2-methylpropyl)amino]-2,2-dimethylbutanenitrile
CID 66186694
2,2-dimethyl-6-(2-prop-2-ynylsulfanylethylamino)hexanenitrile
CID 106428439
5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305
6-(3-hydroxypropylsulfanyl)-2,2-dimethylhexanenitrile
CID 106712657
6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile
CID 106709405
6-(2,2-dimethylpropylamino)hexan-1-ol
CID 115909001

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile?
The IUPAC name of 4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile (CID 107851566) is 4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile is CC(C)(C#N)CCNCCCCCCO.
What is the InChIKey of 4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile?
The InChIKey is RVEJRBCUHOZWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,11-13)7-9-14-8-5-3-4-6-10-15/h14-15H,3-10H2,1-2H3.
What are the key properties of 4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile?
4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile has a molecular weight of 212.34 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile is sourced from PubChem (CID 107851566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).