N,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

C11H18N2S — CID 103069346

IUPACN,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESC=C(CNC)CN(C)Cc1cccs1
InChIInChI=1S/C11H18N2S/c1-10(7-12-2)8-13(3)9-11-5-4-6-14-11/h4-6,12H,1,7-9H2,2-3H3
InChIKeyQCVNHVFDBRJSLI-UHFFFAOYSA-N
MW210.35 g/mol
LogP1.96
Rot. Bonds6

About N,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

N,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 103069346) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID103069346
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESC=C(CNC)CN(C)Cc1cccs1
InChIInChI=1S/C11H18N2S/c1-10(7-12-2)8-13(3)9-11-5-4-6-14-11/h4-6,12H,1,7-9H2,2-3H3
InChIKeyQCVNHVFDBRJSLI-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 103069350
2-(chloromethyl)-N-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 103067645
1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 112708944
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
1-(4-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650537
2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258016
N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512957
1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
CID 43527489
2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 60690026
2,2-dimethyl-4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 65247891

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 103069346) is N,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is C=C(CNC)CN(C)Cc1cccs1.
What is the InChIKey of N,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is QCVNHVFDBRJSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-10(7-12-2)8-13(3)9-11-5-4-6-14-11/h4-6,12H,1,7-9H2,2-3H3.
What are the key properties of N,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
N,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 210.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 103069346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).