5-(2-methylpentan-2-ylamino)pentanenitrile

C11H22N2 — CID 115605289

IUPAC5-(2-methylpentan-2-ylamino)pentanenitrile
SMILESCCCC(C)(C)NCCCCC#N
InChIInChI=1S/C11H22N2/c1-4-8-11(2,3)13-10-7-5-6-9-12/h13H,4-8,10H2,1-3H3
InChIKeyVEVOPKMPCGXEJJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.85
Rot. Bonds7

About 5-(2-methylpentan-2-ylamino)pentanenitrile

5-(2-methylpentan-2-ylamino)pentanenitrile (PubChem CID 115605289) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-(2-methylpentan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name5-(2-methylpentan-2-ylamino)pentanenitrile
PubChem CID115605289
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name5-(2-methylpentan-2-ylamino)pentanenitrile
SMILESCCCC(C)(C)NCCCCC#N
InChIInChI=1S/C11H22N2/c1-4-8-11(2,3)13-10-7-5-6-9-12/h13H,4-8,10H2,1-3H3
InChIKeyVEVOPKMPCGXEJJ-UHFFFAOYSA-N
XLogP2.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.85
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

4-(3-methylpentan-3-ylamino)butanenitrile
CID 103746698
octadecanenitrile
CID 12532
undecanenitrile
CID 16722
4-(octylamino)butanenitrile
CID 78914352
4-iodo-2-methyl-N-pentylbutan-2-amine
CID 130471180
2-methyl-2-(pentylamino)propanenitrile
CID 28702643
4,4-difluoroheptanenitrile
CID 116840828
2-(2-methylpentan-2-ylamino)ethanol
CID 23342156
5-(2,2-dimethylbutylamino)pentanenitrile
CID 103699023
4-[(1-hydroxy-2-methylbutan-2-yl)amino]butanenitrile
CID 64549136
methyl 4-(2-methylpentan-2-ylamino)butanoate
CID 115630932
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpentan-2-ylamino)pentanenitrile?
The IUPAC name of 5-(2-methylpentan-2-ylamino)pentanenitrile (CID 115605289) is 5-(2-methylpentan-2-ylamino)pentanenitrile.
What is the SMILES notation for 5-(2-methylpentan-2-ylamino)pentanenitrile?
The canonical SMILES for 5-(2-methylpentan-2-ylamino)pentanenitrile is CCCC(C)(C)NCCCCC#N.
What is the InChIKey of 5-(2-methylpentan-2-ylamino)pentanenitrile?
The InChIKey is VEVOPKMPCGXEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-8-11(2,3)13-10-7-5-6-9-12/h13H,4-8,10H2,1-3H3.
What are the key properties of 5-(2-methylpentan-2-ylamino)pentanenitrile?
5-(2-methylpentan-2-ylamino)pentanenitrile has a molecular weight of 182.31 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpentan-2-ylamino)pentanenitrile is sourced from PubChem (CID 115605289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).