5-methyl-4-(methylamino)hexanenitrile

C8H16N2 — CID 116955242

IUPAC5-methyl-4-(methylamino)hexanenitrile
SMILESCNC(CCC#N)C(C)C
InChIInChI=1S/C8H16N2/c1-7(2)8(10-3)5-4-6-9/h7-8,10H,4-5H2,1-3H3
InChIKeyZDCWBAARPBZPMA-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.53
Rot. Bonds4

About 5-methyl-4-(methylamino)hexanenitrile

5-methyl-4-(methylamino)hexanenitrile (PubChem CID 116955242) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-methyl-4-(methylamino)hexanenitrile.

Molecular Properties

Compound Name5-methyl-4-(methylamino)hexanenitrile
PubChem CID116955242
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5-methyl-4-(methylamino)hexanenitrile
SMILESCNC(CCC#N)C(C)C
InChIInChI=1S/C8H16N2/c1-7(2)8(10-3)5-4-6-9/h7-8,10H,4-5H2,1-3H3
InChIKeyZDCWBAARPBZPMA-UHFFFAOYSA-N
XLogP1.53
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylheptanedinitrile
CID 12673956
4-methyl-3-(methylamino)pentane-1-thiol
CID 116831345
5-methyl-4-sulfanylhexanenitrile
CID 134606698
6-methylheptanenitrile
CID 22036153
4-N,5-dimethylhexane-1,4-diamine
CID 116949244
2-N,3-N,6-N,3,7-pentamethyloctane-2,3,6-triamine
CID 174433909
2-cyanoethyl-bis[di(propan-2-yl)amino]-hydroxyphosphanium
CID 87077983
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile
CID 61480297
N,2,6-trimethylhept-6-en-3-amine
CID 114474208
4,6-dimethylheptanenitrile
CID 12673955
5-hydroxy-4-methylhexanenitrile
CID 130122658
4-methylsulfanylpentanenitrile
CID 126971417

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(methylamino)hexanenitrile?
The IUPAC name of 5-methyl-4-(methylamino)hexanenitrile (CID 116955242) is 5-methyl-4-(methylamino)hexanenitrile.
What is the SMILES notation for 5-methyl-4-(methylamino)hexanenitrile?
The canonical SMILES for 5-methyl-4-(methylamino)hexanenitrile is CNC(CCC#N)C(C)C.
What is the InChIKey of 5-methyl-4-(methylamino)hexanenitrile?
The InChIKey is ZDCWBAARPBZPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)8(10-3)5-4-6-9/h7-8,10H,4-5H2,1-3H3.
What are the key properties of 5-methyl-4-(methylamino)hexanenitrile?
5-methyl-4-(methylamino)hexanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(methylamino)hexanenitrile is sourced from PubChem (CID 116955242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).