1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine

C13H20N4S — CID 63013897

IUPAC1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine
SMILESCC(N)C(c1ccsc1)N(C)Cc1nccn1C
InChIInChI=1S/C13H20N4S/c1-10(14)13(11-4-7-18-9-11)17(3)8-12-15-5-6-16(12)2/h4-7,9-10,13H,8,14H2,1-3H3
InChIKeyWAQYQQAHZACQQR-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.00
Rot. Bonds5

About 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine

1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine (PubChem CID 63013897) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine
PubChem CID63013897
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine
SMILESCC(N)C(c1ccsc1)N(C)Cc1nccn1C
InChIInChI=1S/C13H20N4S/c1-10(14)13(11-4-7-18-9-11)17(3)8-12-15-5-6-16(12)2/h4-7,9-10,13H,8,14H2,1-3H3
InChIKeyWAQYQQAHZACQQR-UHFFFAOYSA-N
XLogP2.00
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine (CID 63013897) is 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine is CC(N)C(c1ccsc1)N(C)Cc1nccn1C.
What is the InChIKey of 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine?
The InChIKey is WAQYQQAHZACQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-10(14)13(11-4-7-18-9-11)17(3)8-12-15-5-6-16(12)2/h4-7,9-10,13H,8,14H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine?
1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine has a molecular weight of 264.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine is sourced from PubChem (CID 63013897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).