2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile

C14H21N3 — CID 114017469

IUPAC2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile
SMILESCCC(N)(CC)CNc1ccc(C)cc1C#N
InChIInChI=1S/C14H21N3/c1-4-14(16,5-2)10-17-13-7-6-11(3)8-12(13)9-15/h6-8,17H,4-5,10,16H2,1-3H3
InChIKeySPDUPNSAFXMYOQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.80
Rot. Bonds5

About 2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile

2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile (PubChem CID 114017469) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile.

Molecular Properties

Compound Name2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile
PubChem CID114017469
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile
SMILESCCC(N)(CC)CNc1ccc(C)cc1C#N
InChIInChI=1S/C14H21N3/c1-4-14(16,5-2)10-17-13-7-6-11(3)8-12(13)9-15/h6-8,17H,4-5,10,16H2,1-3H3
InChIKeySPDUPNSAFXMYOQ-UHFFFAOYSA-N
XLogP2.80
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-ethylbutyl)amino]-5-chlorobenzonitrile
CID 115306119
2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile
CID 107927307
2-(2,2-dimethylbutylamino)-4-methylbenzonitrile
CID 103461763
2-(2-hydroxypropylamino)-5-methylbenzonitrile
CID 107931244
2-(3-hydroxypropylamino)-5-methylbenzonitrile
CID 107927398
N-[2-(2-cyano-4-methylanilino)ethyl]methanesulfonamide
CID 107927060
5-amino-2-(2,2-dimethylpropylamino)benzonitrile
CID 61296921
5-methyl-2-(pentan-3-ylamino)benzonitrile
CID 107926818
5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile
CID 107927097
2-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methylbenzonitrile
CID 107931329
2-[3-(diethylamino)propylamino]-5-methylbenzonitrile
CID 107926933
2-[2-(2-hydroxypropylamino)ethylamino]-5-methylbenzonitrile
CID 107931684

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile?
The IUPAC name of 2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile (CID 114017469) is 2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile.
What is the SMILES notation for 2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile?
The canonical SMILES for 2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile is CCC(N)(CC)CNc1ccc(C)cc1C#N.
What is the InChIKey of 2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile?
The InChIKey is SPDUPNSAFXMYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-14(16,5-2)10-17-13-7-6-11(3)8-12(13)9-15/h6-8,17H,4-5,10,16H2,1-3H3.
What are the key properties of 2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile?
2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile has a molecular weight of 231.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-ethylbutyl)amino]-5-methylbenzonitrile is sourced from PubChem (CID 114017469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).