3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine

C11H20N2S — CID 106345068

IUPAC3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine
SMILESCc1ccsc1CNC(CN)C(C)C
InChIInChI=1S/C11H20N2S/c1-8(2)10(6-12)13-7-11-9(3)4-5-14-11/h4-5,8,10,13H,6-7,12H2,1-3H3
InChIKeyOVACLZRTXXAJOV-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.13
Rot. Bonds5

About 3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine

3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine (PubChem CID 106345068) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine
PubChem CID106345068
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine
SMILESCc1ccsc1CNC(CN)C(C)C
InChIInChI=1S/C11H20N2S/c1-8(2)10(6-12)13-7-11-9(3)4-5-14-11/h4-5,8,10,13H,6-7,12H2,1-3H3
InChIKeyOVACLZRTXXAJOV-UHFFFAOYSA-N
XLogP2.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine 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

1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 115712849
(1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 81350040
3-[(3-methylthiophen-2-yl)methylamino]butanenitrile
CID 78953450
3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904562
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pentan-3-amine;hydrochloride
CID 115616073
methyl (2R,3S)-3-hydroxy-2-[(3-methylthiophen-2-yl)methylamino]butanoate
CID 99793358
1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43180807
N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43573926
N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43400102
4-ethylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]butan-2-amine
CID 115660494
3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115898789
2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide
CID 112726245

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine?
The IUPAC name of 3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine (CID 106345068) is 3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine is Cc1ccsc1CNC(CN)C(C)C.
What is the InChIKey of 3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine?
The InChIKey is OVACLZRTXXAJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8(2)10(6-12)13-7-11-9(3)4-5-14-11/h4-5,8,10,13H,6-7,12H2,1-3H3.
What are the key properties of 3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine?
3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine has a molecular weight of 212.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 106345068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).