N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine

C15H24N4OS — CID 62844478

IUPACN'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine
SMILESCOCCN(C)CCNC(c1cccs1)c1nccn1C
InChIInChI=1S/C15H24N4OS/c1-18(10-11-20-3)8-6-16-14(13-5-4-12-21-13)15-17-7-9-19(15)2/h4-5,7,9,12,14,16H,6,8,10-11H2,1-3H3
InChIKeyIKMJVIHCPVBCSP-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.74
Rot. Bonds9

About N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine (PubChem CID 62844478) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine
PubChem CID62844478
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine
SMILESCOCCN(C)CCNC(c1cccs1)c1nccn1C
InChIInChI=1S/C15H24N4OS/c1-18(10-11-20-3)8-6-16-14(13-5-4-12-21-13)15-17-7-9-19(15)2/h4-5,7,9,12,14,16H,6,8,10-11H2,1-3H3
InChIKeyIKMJVIHCPVBCSP-UHFFFAOYSA-N
XLogP1.74
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine (CID 62844478) is N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine is COCCN(C)CCNC(c1cccs1)c1nccn1C.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine?
The InChIKey is IKMJVIHCPVBCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-18(10-11-20-3)8-6-16-14(13-5-4-12-21-13)15-17-7-9-19(15)2/h4-5,7,9,12,14,16H,6,8,10-11H2,1-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine has a molecular weight of 308.45 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine is sourced from PubChem (CID 62844478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).