3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile

C15H17N3S — CID 62971993

IUPAC3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile
SMILESCc1ccc(C(CN)N(C)c2cccc(C#N)c2)s1
InChIInChI=1S/C15H17N3S/c1-11-6-7-15(19-11)14(10-17)18(2)13-5-3-4-12(8-13)9-16/h3-8,14H,10,17H2,1-2H3
InChIKeyMXKUNRRFOOLUGA-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.06
Rot. Bonds4

About 3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile

3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile (PubChem CID 62971993) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile.

Molecular Properties

Compound Name3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile
PubChem CID62971993
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile
SMILESCc1ccc(C(CN)N(C)c2cccc(C#N)c2)s1
InChIInChI=1S/C15H17N3S/c1-11-6-7-15(19-11)14(10-17)18(2)13-5-3-4-12(8-13)9-16/h3-8,14H,10,17H2,1-2H3
InChIKeyMXKUNRRFOOLUGA-UHFFFAOYSA-N
XLogP3.06
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-amino-1-thiophen-2-ylethyl)-methylamino]benzonitrile
CID 62969727
3-[(3-amino-2-hydroxypropyl)-methylamino]benzonitrile
CID 62970802
ethane;3-[methyl-[1-(2-methylphenyl)butyl]amino]benzonitrile
CID 143684734
3-[methyl-[2-(5-methylthiophen-2-yl)-2-oxoethyl]amino]benzonitrile
CID 62981709
1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 102838954
N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 60984620
3-[methyl(methylsulfanyl)amino]benzonitrile
CID 146320456
2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide
CID 62982606
N-(3-methoxypropyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 62984095
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzonitrile
CID 62982958
3-[aminomethyl(methyl)amino]benzonitrile;ethylcyclopropane
CID 171541289
2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide
CID 79813224

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile?
The IUPAC name of 3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile (CID 62971993) is 3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile.
What is the SMILES notation for 3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile?
The canonical SMILES for 3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile is Cc1ccc(C(CN)N(C)c2cccc(C#N)c2)s1.
What is the InChIKey of 3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile?
The InChIKey is MXKUNRRFOOLUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-11-6-7-15(19-11)14(10-17)18(2)13-5-3-4-12(8-13)9-16/h3-8,14H,10,17H2,1-2H3.
What are the key properties of 3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile?
3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile has a molecular weight of 271.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile is sourced from PubChem (CID 62971993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).