1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

C13H20N4S — CID 66135725

IUPAC1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCCn1cncc1C(CN)N(C)Cc1ccsc1
InChIInChI=1S/C13H20N4S/c1-3-17-10-15-7-13(17)12(6-14)16(2)8-11-4-5-18-9-11/h4-5,7,9-10,12H,3,6,8,14H2,1-2H3
InChIKeyABPZCQGBKAWNQP-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.10
Rot. Bonds6

About 1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 66135725) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID66135725
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCCn1cncc1C(CN)N(C)Cc1ccsc1
InChIInChI=1S/C13H20N4S/c1-3-17-10-15-7-13(17)12(6-14)16(2)8-11-4-5-18-9-11/h4-5,7,9-10,12H,3,6,8,14H2,1-2H3
InChIKeyABPZCQGBKAWNQP-UHFFFAOYSA-N
XLogP2.10
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66135324
1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 66133065
N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130799
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130408
N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528085
1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528156
N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66134488
1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine
CID 66133269
1-(3,4-dimethylphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43753496
N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66134914
N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129797
N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 66132849

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 66135725) is 1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is CCn1cncc1C(CN)N(C)Cc1ccsc1.
What is the InChIKey of 1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is ABPZCQGBKAWNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-3-17-10-15-7-13(17)12(6-14)16(2)8-11-4-5-18-9-11/h4-5,7,9-10,12H,3,6,8,14H2,1-2H3.
What are the key properties of 1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 264.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 66135725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).