N,N-dimethyl-N'-[(1-propylimidazol-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine

C15H24N4S — CID 62957529

IUPACN,N-dimethyl-N'-[(1-propylimidazol-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
SMILESCCCn1ccnc1CNCC(c1cccs1)N(C)C
InChIInChI=1S/C15H24N4S/c1-4-8-19-9-7-17-15(19)12-16-11-13(18(2)3)14-6-5-10-20-14/h5-7,9-10,13,16H,4,8,11-12H2,1-3H3
InChIKeyPRAYBGXQLZLDJN-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.75
Rot. Bonds8

About N,N-dimethyl-N'-[(1-propylimidazol-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine

N,N-dimethyl-N'-[(1-propylimidazol-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 62957529) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(1-propylimidazol-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(1-propylimidazol-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
PubChem CID62957529
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN,N-dimethyl-N'-[(1-propylimidazol-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
SMILESCCCn1ccnc1CNCC(c1cccs1)N(C)C
InChIInChI=1S/C15H24N4S/c1-4-8-19-9-7-17-15(19)12-16-11-13(18(2)3)14-6-5-10-20-14/h5-7,9-10,13,16H,4,8,11-12H2,1-3H3
InChIKeyPRAYBGXQLZLDJN-UHFFFAOYSA-N
XLogP2.75
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-N'-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55208645
(1S)-N'-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 94823154
(1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398756
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79578963
N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 62760162
1-(2-ethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 64680507
N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 61318763
(1S)-N'-[(1-benzyltetrazol-5-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 94177727
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
N-[(1-propylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895060
1-(2-methylpyrazol-3-yl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 63302358
2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 62956494

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(1-propylimidazol-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[(1-propylimidazol-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine (CID 62957529) is N,N-dimethyl-N'-[(1-propylimidazol-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[(1-propylimidazol-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[(1-propylimidazol-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine is CCCn1ccnc1CNCC(c1cccs1)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-[(1-propylimidazol-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is PRAYBGXQLZLDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-4-8-19-9-7-17-15(19)12-16-11-13(18(2)3)14-6-5-10-20-14/h5-7,9-10,13,16H,4,8,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-N'-[(1-propylimidazol-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
N,N-dimethyl-N'-[(1-propylimidazol-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 292.45 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(1-propylimidazol-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 62957529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).