4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine

C15H24N2 — CID 142886824

IUPAC4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCC.Cc1ccc(C#N)cc1
InChIInChI=1S/C8H7N.C7H17N/c1-7-2-4-8(6-9)5-3-7;1-4-6-8(3)7-5-2/h2-5H,1H3;4-7H2,1-3H3
InChIKeyHZTPZZIQUCBMHA-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.60
Rot. Bonds4

About 4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine

4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine (PubChem CID 142886824) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine
PubChem CID142886824
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCC.Cc1ccc(C#N)cc1
InChIInChI=1S/C8H7N.C7H17N/c1-7-2-4-8(6-9)5-3-7;1-4-6-8(3)7-5-2/h2-5H,1H3;4-7H2,1-3H3
InChIKeyHZTPZZIQUCBMHA-UHFFFAOYSA-N
XLogP3.60
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine
CID 143556008
4-[2-hydroxy-3-[methyl(propyl)amino]propoxy]benzonitrile
CID 43289032
3-fluoro-4-[[methyl(propyl)amino]methyl]benzonitrile
CID 43271253
4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
CID 46837999
4-[methyl(pentyl)amino]benzonitrile
CID 43295094
4-[(2S,4R)-4-(4-methylphenyl)pentan-2-yl]benzonitrile
CID 71129166
4-[[ethyl(methyl)amino]methyl]benzonitrile
CID 43247494
4-[2-[butyl(methyl)amino]ethylsulfonyl]benzonitrile
CID 79506880
ethane;4-methylbenzonitrile;4-methylideneoctane
CID 142349797
4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile
CID 134172030
4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile
CID 143144069
4-[2,5-dimethyl-5-(4-methylphenyl)hexan-2-yl]benzonitrile
CID 167273285

Frequently Asked Questions

What is the IUPAC name of 4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine?
The IUPAC name of 4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine (CID 142886824) is 4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine?
The canonical SMILES for 4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine is CCCN(C)CCC.Cc1ccc(C#N)cc1.
What is the InChIKey of 4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine?
The InChIKey is HZTPZZIQUCBMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C7H17N/c1-7-2-4-8(6-9)5-3-7;1-4-6-8(3)7-5-2/h2-5H,1H3;4-7H2,1-3H3.
What are the key properties of 4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine?
4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzonitrile;N-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 142886824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).