4-(decylamino)-3,3-dimethylbutanenitrile

C16H32N2 — CID 21082820

IUPAC4-(decylamino)-3,3-dimethylbutanenitrile
SMILESCCCCCCCCCCNCC(C)(C)CC#N
InChIInChI=1S/C16H32N2/c1-4-5-6-7-8-9-10-11-14-18-15-16(2,3)12-13-17/h18H,4-12,14-15H2,1-3H3
InChIKeyXAUFMIQCZCVMJV-UHFFFAOYSA-N
MW252.45 g/mol
LogP4.66
Rot. Bonds12

About 4-(decylamino)-3,3-dimethylbutanenitrile

4-(decylamino)-3,3-dimethylbutanenitrile (PubChem CID 21082820) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-(decylamino)-3,3-dimethylbutanenitrile.

Molecular Properties

Compound Name4-(decylamino)-3,3-dimethylbutanenitrile
PubChem CID21082820
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-(decylamino)-3,3-dimethylbutanenitrile
SMILESCCCCCCCCCCNCC(C)(C)CC#N
InChIInChI=1S/C16H32N2/c1-4-5-6-7-8-9-10-11-14-18-15-16(2,3)12-13-17/h18H,4-12,14-15H2,1-3H3
InChIKeyXAUFMIQCZCVMJV-UHFFFAOYSA-N
XLogP4.66
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.66
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

3,3-dimethyl-4-(propylamino)butanenitrile
CID 139517943
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine
CID 115363470
2-(nonylamino)acetonitrile
CID 151643365
N'-hexyl-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28879474
5-(2,2-dimethylbutylamino)pentanenitrile
CID 103699023
4-(dodecylamino)-3,3-dimethylbutan-1-ol
CID 106146657
2-(hexylamino)acetonitrile;hydrochloride
CID 22259892
N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756651
N-(2,2-difluoropropyl)heptan-1-amine
CID 157402508
4-(octylamino)butanenitrile
CID 78914352

Frequently Asked Questions

What is the IUPAC name of 4-(decylamino)-3,3-dimethylbutanenitrile?
The IUPAC name of 4-(decylamino)-3,3-dimethylbutanenitrile (CID 21082820) is 4-(decylamino)-3,3-dimethylbutanenitrile.
What is the SMILES notation for 4-(decylamino)-3,3-dimethylbutanenitrile?
The canonical SMILES for 4-(decylamino)-3,3-dimethylbutanenitrile is CCCCCCCCCCNCC(C)(C)CC#N.
What is the InChIKey of 4-(decylamino)-3,3-dimethylbutanenitrile?
The InChIKey is XAUFMIQCZCVMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-5-6-7-8-9-10-11-14-18-15-16(2,3)12-13-17/h18H,4-12,14-15H2,1-3H3.
What are the key properties of 4-(decylamino)-3,3-dimethylbutanenitrile?
4-(decylamino)-3,3-dimethylbutanenitrile has a molecular weight of 252.45 g/mol, XLogP of 4.66, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(decylamino)-3,3-dimethylbutanenitrile is sourced from PubChem (CID 21082820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).