3-[methyl(3-methylnonyl)amino]propanenitrile

C14H28N2 — CID 170108010

IUPAC3-[methyl(3-methylnonyl)amino]propanenitrile
SMILESCCCCCCC(C)CCN(C)CCC#N
InChIInChI=1S/C14H28N2/c1-4-5-6-7-9-14(2)10-13-16(3)12-8-11-15/h14H,4-10,12-13H2,1-3H3
InChIKeyNEYJDESHBAYXEX-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.83
Rot. Bonds10

About 3-[methyl(3-methylnonyl)amino]propanenitrile

3-[methyl(3-methylnonyl)amino]propanenitrile (PubChem CID 170108010) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-[methyl(3-methylnonyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl(3-methylnonyl)amino]propanenitrile
PubChem CID170108010
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-[methyl(3-methylnonyl)amino]propanenitrile
SMILESCCCCCCC(C)CCN(C)CCC#N
InChIInChI=1S/C14H28N2/c1-4-5-6-7-9-14(2)10-13-16(3)12-8-11-15/h14H,4-10,12-13H2,1-3H3
InChIKeyNEYJDESHBAYXEX-UHFFFAOYSA-N
XLogP3.83
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
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

21-methylhentriacontanenitrile
CID 527382
21,25-dimethylhentriacontanenitrile
CID 527376
3-[methyl(4-methylpentyl)amino]propanenitrile
CID 83156286
(11R,17S)-11,17-dimethylhentriacontane
CID 11762375
12,22-dimethylhexatriacontane
CID 6430382
10,18-dimethyloctacosane
CID 86203537
(7R)-7-methyltetradecane
CID 163036465
9,21-dimethyldotriacontane
CID 6430458
(9R)-9-methylicosane
CID 170848391
7,17-dimethylpentacosane
CID 56936202
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-methylnonyl)amino]propanenitrile?
The IUPAC name of 3-[methyl(3-methylnonyl)amino]propanenitrile (CID 170108010) is 3-[methyl(3-methylnonyl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl(3-methylnonyl)amino]propanenitrile?
The canonical SMILES for 3-[methyl(3-methylnonyl)amino]propanenitrile is CCCCCCC(C)CCN(C)CCC#N.
What is the InChIKey of 3-[methyl(3-methylnonyl)amino]propanenitrile?
The InChIKey is NEYJDESHBAYXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-5-6-7-9-14(2)10-13-16(3)12-8-11-15/h14H,4-10,12-13H2,1-3H3.
What are the key properties of 3-[methyl(3-methylnonyl)amino]propanenitrile?
3-[methyl(3-methylnonyl)amino]propanenitrile has a molecular weight of 224.39 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-methylnonyl)amino]propanenitrile is sourced from PubChem (CID 170108010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).