3-methyl-2-(2-methylpropylideneamino)pentanenitrile

C10H18N2 — CID 23362727

IUPAC3-methyl-2-(2-methylpropylideneamino)pentanenitrile
SMILESCCC(C)C(C#N)/N=C/C(C)C
InChIInChI=1S/C10H18N2/c1-5-9(4)10(6-11)12-7-8(2)3/h7-10H,5H2,1-4H3/b12-7+
InChIKeySIIMTSHXFWZYAU-KPKJPENVSA-N
MW166.27 g/mol
LogP2.65
Rot. Bonds4

About 3-methyl-2-(2-methylpropylideneamino)pentanenitrile

3-methyl-2-(2-methylpropylideneamino)pentanenitrile (PubChem CID 23362727) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-methyl-2-(2-methylpropylideneamino)pentanenitrile.

Molecular Properties

Compound Name3-methyl-2-(2-methylpropylideneamino)pentanenitrile
PubChem CID23362727
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-methyl-2-(2-methylpropylideneamino)pentanenitrile
SMILESCCC(C)C(C#N)/N=C/C(C)C
InChIInChI=1S/C10H18N2/c1-5-9(4)10(6-11)12-7-8(2)3/h7-10H,5H2,1-4H3/b12-7+
InChIKeySIIMTSHXFWZYAU-KPKJPENVSA-N
XLogP2.65
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(2-methylpropylideneamino)butanenitrile
CID 573025
4-methyl-3-(2-methylpropylideneamino)hexane-1-thiol
CID 144764550
methyl N-(1-cyano-2-methylpropyl)methanimidate
CID 11083973
3-methyl-2-(2-methylpropylsulfanyl)pentanenitrile
CID 79445142
2-(3,5-difluorophenyl)-3-methylpentanenitrile
CID 79446877
2-ethyl-3-hydroxy-4-methylhexanenitrile
CID 79137275
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
(4S)-3,4-dimethylhexane;methyliodanuidylmethane
CID 168990410
sodium 2-methylbutanenitrile
CID 23346888
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
hex-3-ene;2-methylbutanenitrile
CID 159677833
(2S)-2-[bis(cyanomethyl)amino]-3-methylpentanenitrile
CID 18664112

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylpropylideneamino)pentanenitrile?
The IUPAC name of 3-methyl-2-(2-methylpropylideneamino)pentanenitrile (CID 23362727) is 3-methyl-2-(2-methylpropylideneamino)pentanenitrile.
What is the SMILES notation for 3-methyl-2-(2-methylpropylideneamino)pentanenitrile?
The canonical SMILES for 3-methyl-2-(2-methylpropylideneamino)pentanenitrile is CCC(C)C(C#N)/N=C/C(C)C.
What is the InChIKey of 3-methyl-2-(2-methylpropylideneamino)pentanenitrile?
The InChIKey is SIIMTSHXFWZYAU-KPKJPENVSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-9(4)10(6-11)12-7-8(2)3/h7-10H,5H2,1-4H3/b12-7+.
What are the key properties of 3-methyl-2-(2-methylpropylideneamino)pentanenitrile?
3-methyl-2-(2-methylpropylideneamino)pentanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylpropylideneamino)pentanenitrile is sourced from PubChem (CID 23362727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).