5-(2,2-dimethylbutylamino)pentanenitrile

C11H22N2 — CID 103699023

IUPAC5-(2,2-dimethylbutylamino)pentanenitrile
SMILESCCC(C)(C)CNCCCCC#N
InChIInChI=1S/C11H22N2/c1-4-11(2,3)10-13-9-7-5-6-8-12/h13H,4-7,9-10H2,1-3H3
InChIKeyDINPYBFPQRPPKN-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.71
Rot. Bonds7

About 5-(2,2-dimethylbutylamino)pentanenitrile

5-(2,2-dimethylbutylamino)pentanenitrile (PubChem CID 103699023) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-(2,2-dimethylbutylamino)pentanenitrile.

Molecular Properties

Compound Name5-(2,2-dimethylbutylamino)pentanenitrile
PubChem CID103699023
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name5-(2,2-dimethylbutylamino)pentanenitrile
SMILESCCC(C)(C)CNCCCCC#N
InChIInChI=1S/C11H22N2/c1-4-11(2,3)10-13-9-7-5-6-8-12/h13H,4-7,9-10H2,1-3H3
InChIKeyDINPYBFPQRPPKN-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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

6-(2,2-dimethylbutylamino)-2,2-dimethylhexanenitrile
CID 106709688
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
4,4-dimethyl-5-(5-methylhexylamino)pentanenitrile
CID 115654451
4-(decylamino)-3,3-dimethylbutanenitrile
CID 21082820
1-N-(2,2-dimethylbutyl)hexane-1,5-diamine
CID 103462285
5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile
CID 106246917
5-(5-methoxypentylamino)-4,4-dimethylpentanenitrile
CID 115653005
N-(2,2-dimethylbutyl)hept-6-en-1-amine
CID 107007207
4,4-dimethyl-5-(4,4,4-trifluorobutylamino)pentanenitrile
CID 115664335
2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine
CID 103699635
4-(octylamino)butanenitrile
CID 78914352
4-(3-methylpentan-3-ylamino)butanenitrile
CID 103746698

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylbutylamino)pentanenitrile?
The IUPAC name of 5-(2,2-dimethylbutylamino)pentanenitrile (CID 103699023) is 5-(2,2-dimethylbutylamino)pentanenitrile.
What is the SMILES notation for 5-(2,2-dimethylbutylamino)pentanenitrile?
The canonical SMILES for 5-(2,2-dimethylbutylamino)pentanenitrile is CCC(C)(C)CNCCCCC#N.
What is the InChIKey of 5-(2,2-dimethylbutylamino)pentanenitrile?
The InChIKey is DINPYBFPQRPPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-11(2,3)10-13-9-7-5-6-8-12/h13H,4-7,9-10H2,1-3H3.
What are the key properties of 5-(2,2-dimethylbutylamino)pentanenitrile?
5-(2,2-dimethylbutylamino)pentanenitrile has a molecular weight of 182.31 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylbutylamino)pentanenitrile is sourced from PubChem (CID 103699023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).