2-(tert-butylamino)-5,5-dimethylhexanenitrile

C12H24N2 — CID 20825473

IUPAC2-(tert-butylamino)-5,5-dimethylhexanenitrile
SMILESCC(C)(C)CCC(C#N)NC(C)(C)C
InChIInChI=1S/C12H24N2/c1-11(2,3)8-7-10(9-13)14-12(4,5)6/h10,14H,7-8H2,1-6H3
InChIKeyMOCHPFYQHIDAPQ-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.09
Rot. Bonds3

About 2-(tert-butylamino)-5,5-dimethylhexanenitrile

2-(tert-butylamino)-5,5-dimethylhexanenitrile (PubChem CID 20825473) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-(tert-butylamino)-5,5-dimethylhexanenitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-5,5-dimethylhexanenitrile
PubChem CID20825473
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-(tert-butylamino)-5,5-dimethylhexanenitrile
SMILESCC(C)(C)CCC(C#N)NC(C)(C)C
InChIInChI=1S/C12H24N2/c1-11(2,3)8-7-10(9-13)14-12(4,5)6/h10,14H,7-8H2,1-6H3
InChIKeyMOCHPFYQHIDAPQ-UHFFFAOYSA-N
XLogP3.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Propanenitrile, 3-[(6-amino-2,4,4-trimethylhexyl)amino]-
CID 109365
3-(Tert-Octylamino)Propionitrile
CID 573950
3-((6-Amino-2,2,4-trimethylhexyl)amino)propanenitrile
CID 109364
Propanenitrile, 3-[(6-amino-3,5,5-trimethylhexyl)amino]-
CID 112127
Propanenitrile, 3-[(6-amino-3,3,5-trimethylhexyl)amino]-
CID 112128
4,4-Dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile
CID 110209328
Acetonitrile, 2-[(1,1,3,3-tetramethylbutyl)amino]-
CID 415915
3-(3,5,5-Trimethylhexylamino)propanenitrile
CID 221338
1-(Propan-2-ylamino)cyclohexane-1-carbonitrile
CID 21678966
2-(Ethylamino)-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexanenitrile
CID 61906174
2-Methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)hexanenitrile
CID 61906175
2-Methyl-2-(propan-2-ylamino)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexanenitrile
CID 61906176

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-5,5-dimethylhexanenitrile?
The IUPAC name of 2-(tert-butylamino)-5,5-dimethylhexanenitrile (CID 20825473) is 2-(tert-butylamino)-5,5-dimethylhexanenitrile.
What is the SMILES notation for 2-(tert-butylamino)-5,5-dimethylhexanenitrile?
The canonical SMILES for 2-(tert-butylamino)-5,5-dimethylhexanenitrile is CC(C)(C)CCC(C#N)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-5,5-dimethylhexanenitrile?
The InChIKey is MOCHPFYQHIDAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-11(2,3)8-7-10(9-13)14-12(4,5)6/h10,14H,7-8H2,1-6H3.
What are the key properties of 2-(tert-butylamino)-5,5-dimethylhexanenitrile?
2-(tert-butylamino)-5,5-dimethylhexanenitrile has a molecular weight of 196.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-5,5-dimethylhexanenitrile is sourced from PubChem (CID 20825473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).