2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile

C14H21N3 — CID 107927497

IUPAC2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile
SMILESCc1ccc(N(C)CCCN(C)C)c(C#N)c1
InChIInChI=1S/C14H21N3/c1-12-6-7-14(13(10-12)11-15)17(4)9-5-8-16(2)3/h6-7,10H,5,8-9H2,1-4H3
InChIKeyMOPNXKZEXDTHOS-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.25
Rot. Bonds5

About 2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile

2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile (PubChem CID 107927497) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile
PubChem CID107927497
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile
SMILESCc1ccc(N(C)CCCN(C)C)c(C#N)c1
InChIInChI=1S/C14H21N3/c1-12-6-7-14(13(10-12)11-15)17(4)9-5-8-16(2)3/h6-7,10H,5,8-9H2,1-4H3
InChIKeyMOPNXKZEXDTHOS-UHFFFAOYSA-N
XLogP2.25
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-cyanoethyl(methyl)amino]-5-methylbenzonitrile
CID 107926782
5-methyl-2-[methyl(2-methylpropyl)amino]benzonitrile
CID 107927024
5-chloro-2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 63693164
2-(2-cyano-N,4-dimethylanilino)acetamide
CID 107927039
2-(dipropylamino)-5-methylbenzonitrile
CID 107926828
5-bromo-2-[methyl-[3-(methylamino)propyl]amino]benzonitrile
CID 114894134
2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 55247342
2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929934
5-chloro-2-[methyl(pent-4-enyl)amino]benzonitrile
CID 115640383
2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile
CID 107927022
5-amino-2-[2-cyanoethyl(methyl)amino]benzonitrile
CID 61283805
2-[3-(dimethylamino)propyl-ethylamino]-5-formylbenzonitrile
CID 114063316

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile?
The IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile (CID 107927497) is 2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile?
The canonical SMILES for 2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile is Cc1ccc(N(C)CCCN(C)C)c(C#N)c1.
What is the InChIKey of 2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile?
The InChIKey is MOPNXKZEXDTHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-12-6-7-14(13(10-12)11-15)17(4)9-5-8-16(2)3/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile?
2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile has a molecular weight of 231.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile is sourced from PubChem (CID 107927497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).