2-(dipropylamino)-5-methylbenzonitrile

C14H20N2 — CID 107926828

IUPAC2-(dipropylamino)-5-methylbenzonitrile
SMILESCCCN(CCC)c1ccc(C)cc1C#N
InChIInChI=1S/C14H20N2/c1-4-8-16(9-5-2)14-7-6-12(3)10-13(14)11-15/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyVTPVXUHJHVPIJY-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.49
Rot. Bonds5

About 2-(dipropylamino)-5-methylbenzonitrile

2-(dipropylamino)-5-methylbenzonitrile (PubChem CID 107926828) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(dipropylamino)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(dipropylamino)-5-methylbenzonitrile
PubChem CID107926828
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(dipropylamino)-5-methylbenzonitrile
SMILESCCCN(CCC)c1ccc(C)cc1C#N
InChIInChI=1S/C14H20N2/c1-4-8-16(9-5-2)14-7-6-12(3)10-13(14)11-15/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyVTPVXUHJHVPIJY-UHFFFAOYSA-N
XLogP3.49
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile
CID 107927022
5-chloro-2-[ethyl(propyl)amino]benzonitrile
CID 62494074
2-[2-cyanoethyl(methyl)amino]-5-methylbenzonitrile
CID 107926782
2-chloro-4-methyl-N,N-dipropylaniline
CID 142078199
2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile
CID 107927497
2,5-dimethyl-N,N-dipropylaniline
CID 13113808
methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine
CID 144540155
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-4-methylbenzonitrile
CID 79662187
5-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 62492569
5-bromo-2-[propyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 114890593
2-[cyclopropylmethyl(prop-2-ynyl)amino]-5-methylbenzonitrile
CID 114016918
2-[ethyl(propyl)amino]benzonitrile
CID 43268868

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-5-methylbenzonitrile?
The IUPAC name of 2-(dipropylamino)-5-methylbenzonitrile (CID 107926828) is 2-(dipropylamino)-5-methylbenzonitrile.
What is the SMILES notation for 2-(dipropylamino)-5-methylbenzonitrile?
The canonical SMILES for 2-(dipropylamino)-5-methylbenzonitrile is CCCN(CCC)c1ccc(C)cc1C#N.
What is the InChIKey of 2-(dipropylamino)-5-methylbenzonitrile?
The InChIKey is VTPVXUHJHVPIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-4-8-16(9-5-2)14-7-6-12(3)10-13(14)11-15/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(dipropylamino)-5-methylbenzonitrile?
2-(dipropylamino)-5-methylbenzonitrile has a molecular weight of 216.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-5-methylbenzonitrile is sourced from PubChem (CID 107926828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).