2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile

C19H30N2 — CID 106709606

IUPAC2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile
SMILESCC(C)(C#N)CCCCNC(C)(C)CCc1ccccc1
InChIInChI=1S/C19H30N2/c1-18(2,16-20)13-8-9-15-21-19(3,4)14-12-17-10-6-5-7-11-17/h5-7,10-11,21H,8-9,12-15H2,1-4H3
InChIKeyHKJCLSBHNSUIGR-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.71
Rot. Bonds9

About 2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile

2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile (PubChem CID 106709606) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile
PubChem CID106709606
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile
SMILESCC(C)(C#N)CCCCNC(C)(C)CCc1ccccc1
InChIInChI=1S/C19H30N2/c1-18(2,16-20)13-8-9-15-21-19(3,4)14-12-17-10-6-5-7-11-17/h5-7,10-11,21H,8-9,12-15H2,1-4H3
InChIKeyHKJCLSBHNSUIGR-UHFFFAOYSA-N
XLogP4.71
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.71
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

N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
CID 114448948
N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine
CID 138685115
5-anilino-2,2-dimethylpentanenitrile
CID 65256464
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 115670388
N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine
CID 113231354
N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine
CID 115997324
2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide
CID 115690814
6-(2-tert-butylanilino)-2,2-dimethylhexanenitrile
CID 106709354
N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide
CID 103822680
2,2-dimethyl-6-(2-phenylpropylamino)hexanenitrile
CID 106709585
2-(3-azidopropylamino)-2-methyl-4-phenylbutanenitrile
CID 66190668

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile (CID 106709606) is 2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile is CC(C)(C#N)CCCCNC(C)(C)CCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile?
The InChIKey is HKJCLSBHNSUIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-18(2,16-20)13-8-9-15-21-19(3,4)14-12-17-10-6-5-7-11-17/h5-7,10-11,21H,8-9,12-15H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile?
2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile has a molecular weight of 286.46 g/mol, XLogP of 4.71, 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-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile is sourced from PubChem (CID 106709606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).