2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine

C14H22N4S — CID 54913424

IUPAC2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
SMILESCC(CNC(c1cccs1)c1nccn1C)N(C)C
InChIInChI=1S/C14H22N4S/c1-11(17(2)3)10-16-13(12-6-5-9-19-12)14-15-7-8-18(14)4/h5-9,11,13,16H,10H2,1-4H3
InChIKeyYNFYFWSBPMHXCD-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.11
Rot. Bonds6

About 2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine

2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine (PubChem CID 54913424) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
PubChem CID54913424
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
SMILESCC(CNC(c1cccs1)c1nccn1C)N(C)C
InChIInChI=1S/C14H22N4S/c1-11(17(2)3)10-16-13(12-6-5-9-19-12)14-15-7-8-18(14)4/h5-9,11,13,16H,10H2,1-4H3
InChIKeyYNFYFWSBPMHXCD-UHFFFAOYSA-N
XLogP2.11
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine (CID 54913424) is 2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine is CC(CNC(c1cccs1)c1nccn1C)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine?
The InChIKey is YNFYFWSBPMHXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-11(17(2)3)10-16-13(12-6-5-9-19-12)14-15-7-8-18(14)4/h5-9,11,13,16H,10H2,1-4H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine?
2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine has a molecular weight of 278.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine is sourced from PubChem (CID 54913424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).