4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile

C15H23N3 — CID 81273134

IUPAC4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile
SMILESCc1cc(NC(CN(C)C)C(C)C)ccc1C#N
InChIInChI=1S/C15H23N3/c1-11(2)15(10-18(4)5)17-14-7-6-13(9-16)12(3)8-14/h6-8,11,15,17H,10H2,1-5H3
InChIKeyCRMGSNIGJDANJZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.86
Rot. Bonds5

About 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile

4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile (PubChem CID 81273134) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile.

Molecular Properties

Compound Name4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile
PubChem CID81273134
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile
SMILESCc1cc(NC(CN(C)C)C(C)C)ccc1C#N
InChIInChI=1S/C15H23N3/c1-11(2)15(10-18(4)5)17-14-7-6-13(9-16)12(3)8-14/h6-8,11,15,17H,10H2,1-5H3
InChIKeyCRMGSNIGJDANJZ-UHFFFAOYSA-N
XLogP2.86
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylbenzonitrile
CID 81279647
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzenecarbothioamide
CID 81276876
4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile
CID 81279555
4-(5-hydroxypentan-2-ylamino)-2-methylbenzonitrile
CID 81279649
2-methyl-4-(octan-2-ylamino)benzonitrile
CID 81273026
2-(4-cyano-3-methylanilino)-3-methylbutanoic acid
CID 81274147
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile
CID 82944887
4-[(1-amino-3-methylbutan-2-yl)amino]-2-bromobenzonitrile
CID 107280757
4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2-fluorobenzonitrile
CID 115367304
3-amino-4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzonitrile
CID 54953458
4-(1-methoxypentan-2-ylamino)-2-methylbenzonitrile
CID 81279557
2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile
CID 83073128

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile?
The IUPAC name of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile (CID 81273134) is 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile.
What is the SMILES notation for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile?
The canonical SMILES for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile is Cc1cc(NC(CN(C)C)C(C)C)ccc1C#N.
What is the InChIKey of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile?
The InChIKey is CRMGSNIGJDANJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11(2)15(10-18(4)5)17-14-7-6-13(9-16)12(3)8-14/h6-8,11,15,17H,10H2,1-5H3.
What are the key properties of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile?
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile has a molecular weight of 245.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzonitrile is sourced from PubChem (CID 81273134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).