1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine

C13H24N2S — CID 63983723

IUPAC1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine
SMILESCCC(C)(C)N(C)C(c1ccsc1)C(C)N
InChIInChI=1S/C13H24N2S/c1-6-13(3,4)15(5)12(10(2)14)11-7-8-16-9-11/h7-10,12H,6,14H2,1-5H3
InChIKeyVAJIESUTNKMZGK-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.26
Rot. Bonds5

About 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine

1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine (PubChem CID 63983723) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine
PubChem CID63983723
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine
SMILESCCC(C)(C)N(C)C(c1ccsc1)C(C)N
InChIInChI=1S/C13H24N2S/c1-6-13(3,4)15(5)12(10(2)14)11-7-8-16-9-11/h7-10,12H,6,14H2,1-5H3
InChIKeyVAJIESUTNKMZGK-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol
CID 62335508
3-(3-ethyl-3-methylpentan-2-yl)thiophene
CID 139314791
2-[(2-amino-1-thiophen-3-ylbutyl)-methylamino]propan-1-ol
CID 104551255
1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79475669
1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine
CID 79477887
1-hydrazinyl-N,N,2-trimethyl-1-thiophen-3-ylbutan-2-amine
CID 105240466
3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine
CID 115920356
1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine
CID 63013897
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methyl-1-thiophen-3-ylbutane-1,2-diamine
CID 62979632
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine
CID 63983496
3-(3,3-dimethylbutan-2-yl)thiophene;ethane
CID 143105363

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine (CID 63983723) is 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine is CCC(C)(C)N(C)C(c1ccsc1)C(C)N.
What is the InChIKey of 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine?
The InChIKey is VAJIESUTNKMZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-13(3,4)15(5)12(10(2)14)11-7-8-16-9-11/h7-10,12H,6,14H2,1-5H3.
What are the key properties of 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine?
1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine is sourced from PubChem (CID 63983723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).