2-(tert-butylamino)-4,4-dimethylpentanenitrile

C11H22N2 — CID 20825455

IUPAC2-(tert-butylamino)-4,4-dimethylpentanenitrile
SMILESCC(C)(C)CC(C#N)NC(C)(C)C
InChIInChI=1S/C11H22N2/c1-10(2,3)7-9(8-12)13-11(4,5)6/h9,13H,7H2,1-6H3
InChIKeyJYMHKGIHVROCDT-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.70
Rot. Bonds2

About 2-(tert-butylamino)-4,4-dimethylpentanenitrile

2-(tert-butylamino)-4,4-dimethylpentanenitrile (PubChem CID 20825455) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(tert-butylamino)-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-4,4-dimethylpentanenitrile
PubChem CID20825455
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-(tert-butylamino)-4,4-dimethylpentanenitrile
SMILESCC(C)(C)CC(C#N)NC(C)(C)C
InChIInChI=1S/C11H22N2/c1-10(2,3)7-9(8-12)13-11(4,5)6/h9,13H,7H2,1-6H3
InChIKeyJYMHKGIHVROCDT-UHFFFAOYSA-N
XLogP2.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 573950
CID 573950
CID 21043847
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CID 10630769
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CID 43731181
CID 43731181
CID 33787729
CID 33787729
CID 415915
CID 415915
CID 43731285
CID 43731285
CID 13809005
CID 13809005
CID 130684626
CID 130684626
CID 51985
CID 51985
CID 62951730
CID 62951730
CID 105931923
CID 105931923

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4,4-dimethylpentanenitrile?
The IUPAC name of 2-(tert-butylamino)-4,4-dimethylpentanenitrile (CID 20825455) is 2-(tert-butylamino)-4,4-dimethylpentanenitrile.
What is the SMILES notation for 2-(tert-butylamino)-4,4-dimethylpentanenitrile?
The canonical SMILES for 2-(tert-butylamino)-4,4-dimethylpentanenitrile is CC(C)(C)CC(C#N)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-4,4-dimethylpentanenitrile?
The InChIKey is JYMHKGIHVROCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2,3)7-9(8-12)13-11(4,5)6/h9,13H,7H2,1-6H3.
What are the key properties of 2-(tert-butylamino)-4,4-dimethylpentanenitrile?
2-(tert-butylamino)-4,4-dimethylpentanenitrile has a molecular weight of 182.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4,4-dimethylpentanenitrile is sourced from PubChem (CID 20825455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).