2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile

C14H21N3 — CID 107927307

IUPAC2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile
SMILESCc1ccc(NCC(C)(C)N(C)C)c(C#N)c1
InChIInChI=1S/C14H21N3/c1-11-6-7-13(12(8-11)9-15)16-10-14(2,3)17(4)5/h6-8,16H,10H2,1-5H3
InChIKeyBDYUHBWEZWDMJB-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.62
Rot. Bonds4

About 2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile

2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile (PubChem CID 107927307) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile
PubChem CID107927307
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile
SMILESCc1ccc(NCC(C)(C)N(C)C)c(C#N)c1
InChIInChI=1S/C14H21N3/c1-11-6-7-13(12(8-11)9-15)16-10-14(2,3)17(4)5/h6-8,16H,10H2,1-5H3
InChIKeyBDYUHBWEZWDMJB-UHFFFAOYSA-N
XLogP2.62
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile
CID 114017469
2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile
CID 107927736
2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile
CID 81300198
2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzonitrile
CID 113444731
2-(2-hydroxypropylamino)-5-methylbenzonitrile
CID 107931244
2-(3-hydroxypropylamino)-5-methylbenzonitrile
CID 107927398
5-methyl-2-(5-methylhexylamino)benzonitrile
CID 107927694
5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile
CID 107927097
2-[3-(diethylamino)propylamino]-5-methylbenzonitrile
CID 107926933
2-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methylbenzonitrile
CID 107931329
5-methyl-2-[3-(N-methylanilino)propylamino]benzonitrile
CID 107926867
2-(2,2-dimethylbutylamino)-4-methylbenzonitrile
CID 103461763

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile?
The IUPAC name of 2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile (CID 107927307) is 2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile?
The canonical SMILES for 2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile is Cc1ccc(NCC(C)(C)N(C)C)c(C#N)c1.
What is the InChIKey of 2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile?
The InChIKey is BDYUHBWEZWDMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-6-7-13(12(8-11)9-15)16-10-14(2,3)17(4)5/h6-8,16H,10H2,1-5H3.
What are the key properties of 2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile?
2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile has a molecular weight of 231.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile is sourced from PubChem (CID 107927307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).