6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile

C14H28N2 — CID 106709258

IUPAC6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile
SMILESCCCCC(C)NCCCCC(C)(C)C#N
InChIInChI=1S/C14H28N2/c1-5-6-9-13(2)16-11-8-7-10-14(3,4)12-15/h13,16H,5-11H2,1-4H3
InChIKeyNRYMPQKEQAKLCX-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.87
Rot. Bonds9

About 6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile

6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile (PubChem CID 106709258) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile
PubChem CID106709258
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile
SMILESCCCCC(C)NCCCCC(C)(C)C#N
InChIInChI=1S/C14H28N2/c1-5-6-9-13(2)16-11-8-7-10-14(3,4)12-15/h13,16H,5-11H2,1-4H3
InChIKeyNRYMPQKEQAKLCX-UHFFFAOYSA-N
XLogP3.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile
CID 65254309
2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile
CID 106709341
6-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylhexanenitrile
CID 106709639
6-(4-hydroxypentan-2-ylamino)-2,2-dimethylhexanenitrile
CID 106709557
2,2-dimethyl-6-(3-methylpentan-2-ylamino)hexanenitrile
CID 106709171
N-octan-2-ylundecan-1-amine
CID 150124606
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-heptan-2-ylheptan-1-amine
CID 43572726
6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile
CID 106709382
6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile
CID 106709498
5-(pentan-2-ylamino)pentanenitrile
CID 60689862

Frequently Asked Questions

What is the IUPAC name of 6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile?
The IUPAC name of 6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile (CID 106709258) is 6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile is CCCCC(C)NCCCCC(C)(C)C#N.
What is the InChIKey of 6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile?
The InChIKey is NRYMPQKEQAKLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-6-9-13(2)16-11-8-7-10-14(3,4)12-15/h13,16H,5-11H2,1-4H3.
What are the key properties of 6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile?
6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile has a molecular weight of 224.39 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106709258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).