4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile

C14H28N2 — CID 135191060

IUPAC4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile
SMILESCCCCC(C)(C)CN(CC)CCCC#N
InChIInChI=1S/C14H28N2/c1-5-7-10-14(3,4)13-16(6-2)12-9-8-11-15/h5-10,12-13H2,1-4H3
InChIKeyYKGVVYBHYFAKKW-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.83
Rot. Bonds9

About 4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile

4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile (PubChem CID 135191060) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile.

Molecular Properties

Compound Name4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile
PubChem CID135191060
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile
SMILESCCCCC(C)(C)CN(CC)CCCC#N
InChIInChI=1S/C14H28N2/c1-5-7-10-14(3,4)13-16(6-2)12-9-8-11-15/h5-10,12-13H2,1-4H3
InChIKeyYKGVVYBHYFAKKW-UHFFFAOYSA-N
XLogP3.83
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(diethylamino)heptanenitrile
CID 3857194
16-(dihexadecylamino)hexadecanenitrile
CID 139661963
3-[2-cyanoethyl(hexyl)amino]propanenitrile
CID 16733110
N,N-diethyl-4,4-dimethyldecan-1-amine
CID 129028023
N,N-diethyl-2,2-dimethylpentan-1-amine
CID 91350925
N-(2,2-dimethylpropyl)-N-ethyl-4,4-dimethylhexan-1-amine
CID 134441309
4-[2-ethoxyethyl(ethyl)amino]butanenitrile
CID 63697379
5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile
CID 113247973
3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-ol
CID 62270214
3-[dodecyl(2-methylpropyl)amino]propanenitrile
CID 63517908
3-[2-methylpropyl(octyl)amino]propanenitrile
CID 63516603
5-[ethyl(3-hydroxypropyl)amino]pentanenitrile
CID 115666448

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile?
The IUPAC name of 4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile (CID 135191060) is 4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile.
What is the SMILES notation for 4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile?
The canonical SMILES for 4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile is CCCCC(C)(C)CN(CC)CCCC#N.
What is the InChIKey of 4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile?
The InChIKey is YKGVVYBHYFAKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-7-10-14(3,4)13-16(6-2)12-9-8-11-15/h5-10,12-13H2,1-4H3.
What are the key properties of 4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile?
4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile has a molecular weight of 224.39 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile is sourced from PubChem (CID 135191060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).