N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine

C12H20N2S — CID 103070954

IUPACN'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
SMILESC=C(CN)CN(C)C(C)Cc1cccs1
InChIInChI=1S/C12H20N2S/c1-10(8-13)9-14(3)11(2)7-12-5-4-6-15-12/h4-6,11H,1,7-9,13H2,2-3H3
InChIKeyLSEIARZYHIPJIT-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.13
Rot. Bonds6

About N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine

N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine (PubChem CID 103070954) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
PubChem CID103070954
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
SMILESC=C(CN)CN(C)C(C)Cc1cccs1
InChIInChI=1S/C12H20N2S/c1-10(8-13)9-14(3)11(2)7-12-5-4-6-15-12/h4-6,11H,1,7-9,13H2,2-3H3
InChIKeyLSEIARZYHIPJIT-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.13
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'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
CID 79476073
1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486106
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79485851
1-(5-methylthiophen-2-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486407
N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide
CID 79488662
1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488675
1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486408

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine (CID 103070954) is N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine is C=C(CN)CN(C)C(C)Cc1cccs1.
What is the InChIKey of N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine?
The InChIKey is LSEIARZYHIPJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10(8-13)9-14(3)11(2)7-12-5-4-6-15-12/h4-6,11H,1,7-9,13H2,2-3H3.
What are the key properties of N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine?
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine has a molecular weight of 224.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 103070954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).