N',N'-dimethyl-1-thiophen-2-ylmethanediamine

C7H12N2S — CID 116909030

IUPACN',N'-dimethyl-1-thiophen-2-ylmethanediamine
SMILESCN(C)C(N)c1cccs1
InChIInChI=1S/C7H12N2S/c1-9(2)7(8)6-4-3-5-10-6/h3-5,7H,8H2,1-2H3
InChIKeyKHIROORLANBMLV-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.27
Rot. Bonds2

About N',N'-dimethyl-1-thiophen-2-ylmethanediamine

N',N'-dimethyl-1-thiophen-2-ylmethanediamine (PubChem CID 116909030) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is N',N'-dimethyl-1-thiophen-2-ylmethanediamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-thiophen-2-ylmethanediamine
PubChem CID116909030
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC NameN',N'-dimethyl-1-thiophen-2-ylmethanediamine
SMILESCN(C)C(N)c1cccs1
InChIInChI=1S/C7H12N2S/c1-9(2)7(8)6-4-3-5-10-6/h3-5,7H,8H2,1-2H3
InChIKeyKHIROORLANBMLV-UHFFFAOYSA-N
XLogP1.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N',N'-dimethyl-1-thiophen-2-ylmethanediamine 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

N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 3842630
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine
CID 52501435
1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride
CID 68828667
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
2-propan-2-ylthiophene
CID 178128598
3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride
CID 87694662
N,N,2,2-tetramethyl-1-thiophen-2-ylpropane-1,3-diamine
CID 116904903
1-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-2-ol
CID 116911292
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine
CID 47086547
N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 43569817

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-thiophen-2-ylmethanediamine?
The IUPAC name of N',N'-dimethyl-1-thiophen-2-ylmethanediamine (CID 116909030) is N',N'-dimethyl-1-thiophen-2-ylmethanediamine.
What is the SMILES notation for N',N'-dimethyl-1-thiophen-2-ylmethanediamine?
The canonical SMILES for N',N'-dimethyl-1-thiophen-2-ylmethanediamine is CN(C)C(N)c1cccs1.
What is the InChIKey of N',N'-dimethyl-1-thiophen-2-ylmethanediamine?
The InChIKey is KHIROORLANBMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-9(2)7(8)6-4-3-5-10-6/h3-5,7H,8H2,1-2H3.
What are the key properties of N',N'-dimethyl-1-thiophen-2-ylmethanediamine?
N',N'-dimethyl-1-thiophen-2-ylmethanediamine has a molecular weight of 156.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-thiophen-2-ylmethanediamine is sourced from PubChem (CID 116909030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).