2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile

C17H26N2 — CID 106709585

IUPAC2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile
SMILESCC(CNCCCCC(C)(C)C#N)c1ccccc1
InChIInChI=1S/C17H26N2/c1-15(16-9-5-4-6-10-16)13-19-12-8-7-11-17(2,3)14-18/h4-6,9-10,15,19H,7-8,11-13H2,1-3H3
InChIKeyQHSVHHXCCMMCBW-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.10
Rot. Bonds8

About 2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile

2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile (PubChem CID 106709585) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile
PubChem CID106709585
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile
SMILESCC(CNCCCCC(C)(C)C#N)c1ccccc1
InChIInChI=1S/C17H26N2/c1-15(16-9-5-4-6-10-16)13-19-12-8-7-11-17(2,3)14-18/h4-6,9-10,15,19H,7-8,11-13H2,1-3H3
InChIKeyQHSVHHXCCMMCBW-UHFFFAOYSA-N
XLogP4.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.10
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

7-methyl-N-(2-phenylpropyl)octan-1-amine
CID 43081304
N-(3-fluoropropyl)-2-phenylpropan-1-amine
CID 104591480
2,2-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanenitrile
CID 65252952
6-[(2-hydroxy-3-methylbutyl)amino]-2,2-dimethylhexanenitrile
CID 106709632
6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile
CID 106709649
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
2,2-dimethyl-6-[(2-methylphenyl)methylamino]hexanenitrile
CID 106709115
N-(3-methylsulfanylpropyl)-2-phenylpropan-1-amine
CID 43182086
2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
CID 13011907
2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile
CID 106709505
6-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2,2-dimethylhexanenitrile
CID 106709482
5-anilino-2,2-dimethylpentanenitrile
CID 65256464

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile (CID 106709585) is 2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile is CC(CNCCCCC(C)(C)C#N)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile?
The InChIKey is QHSVHHXCCMMCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-15(16-9-5-4-6-10-16)13-19-12-8-7-11-17(2,3)14-18/h4-6,9-10,15,19H,7-8,11-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile?
2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile has a molecular weight of 258.41 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile is sourced from PubChem (CID 106709585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).