N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine

C15H24N4S — CID 66130407

IUPACN-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)N(C)C(C)c1cccs1
InChIInChI=1S/C15H24N4S/c1-4-7-19-11-17-10-14(19)13(9-16)18(3)12(2)15-6-5-8-20-15/h5-6,8,10-13H,4,7,9,16H2,1-3H3
InChIKeyZFDUNLLQQKJDDO-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.05
Rot. Bonds7

About N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine

N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 66130407) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID66130407
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)N(C)C(C)c1cccs1
InChIInChI=1S/C15H24N4S/c1-4-7-19-11-17-10-14(19)13(9-16)18(3)12(2)15-6-5-8-20-15/h5-6,8,10-13H,4,7,9,16H2,1-3H3
InChIKeyZFDUNLLQQKJDDO-UHFFFAOYSA-N
XLogP3.05
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (CID 66130407) is N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is CCCn1cncc1C(CN)N(C)C(C)c1cccs1.
What is the InChIKey of N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is ZFDUNLLQQKJDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-4-7-19-11-17-10-14(19)13(9-16)18(3)12(2)15-6-5-8-20-15/h5-6,8,10-13H,4,7,9,16H2,1-3H3.
What are the key properties of N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 292.45 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 66130407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).