2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile

C15H30N2 — CID 106709341

IUPAC2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile
SMILESCC(C)CCC(C)NCCCCC(C)(C)C#N
InChIInChI=1S/C15H30N2/c1-13(2)8-9-14(3)17-11-7-6-10-15(4,5)12-16/h13-14,17H,6-11H2,1-5H3
InChIKeyZHTCEMRUYAXOQI-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.12
Rot. Bonds9

About 2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile

2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile (PubChem CID 106709341) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile
PubChem CID106709341
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile
SMILESCC(C)CCC(C)NCCCCC(C)(C)C#N
InChIInChI=1S/C15H30N2/c1-13(2)8-9-14(3)17-11-7-6-10-15(4,5)12-16/h13-14,17H,6-11H2,1-5H3
InChIKeyZHTCEMRUYAXOQI-UHFFFAOYSA-N
XLogP4.12
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile
CID 106709258
6-(4-hydroxypentan-2-ylamino)-2,2-dimethylhexanenitrile
CID 106709557
2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile
CID 65254309
6-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylhexanenitrile
CID 106709639
2,2-dimethyl-6-(3-methylpentan-2-ylamino)hexanenitrile
CID 106709171
6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
CID 170090972
6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile
CID 106709498
5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343293
3-(5-methylhexan-2-ylamino)propanenitrile
CID 43183224
2,2-dimethyl-6-(1-pyridin-4-ylethylamino)hexanenitrile
CID 106709081
2,2-dimethyl-5-(4-methylpentoxy)pentanenitrile
CID 65257380
N'-(5-methylhexan-2-yl)propane-1,3-diamine
CID 60889893

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile (CID 106709341) is 2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile is CC(C)CCC(C)NCCCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile?
The InChIKey is ZHTCEMRUYAXOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13(2)8-9-14(3)17-11-7-6-10-15(4,5)12-16/h13-14,17H,6-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile?
2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile has a molecular weight of 238.42 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile is sourced from PubChem (CID 106709341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).