N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine

C12H23N3S — CID 105148894

IUPACN-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine
SMILESCCCn1ccnc1C(CCSC)NCC
InChIInChI=1S/C12H23N3S/c1-4-8-15-9-7-14-12(15)11(13-5-2)6-10-16-3/h7,9,11,13H,4-6,8,10H2,1-3H3
InChIKeyMQEDVQAHUHSJJW-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.70
Rot. Bonds8

About N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine

N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine (PubChem CID 105148894) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine
PubChem CID105148894
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine
SMILESCCCn1ccnc1C(CCSC)NCC
InChIInChI=1S/C12H23N3S/c1-4-8-15-9-7-14-12(15)11(13-5-2)6-10-16-3/h7,9,11,13H,4-6,8,10H2,1-3H3
InChIKeyMQEDVQAHUHSJJW-UHFFFAOYSA-N
XLogP2.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-propylimidazol-2-yl)nonan-1-amine
CID 115859033
N-ethyl-2-methoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 63970852
2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine
CID 65136269
[2-methylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105213893
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine
CID 63967928
N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63967916
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
CID 66053103
N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105148851
3-ethoxy-N-ethyl-1-(1-ethylimidazol-2-yl)propan-1-amine
CID 105149887
N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine
CID 65135355
[4-chloro-1-(1-propylimidazol-2-yl)butyl]hydrazine
CID 105235627

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine (CID 105148894) is N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine is CCCn1ccnc1C(CCSC)NCC.
What is the InChIKey of N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine?
The InChIKey is MQEDVQAHUHSJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-4-8-15-9-7-14-12(15)11(13-5-2)6-10-16-3/h7,9,11,13H,4-6,8,10H2,1-3H3.
What are the key properties of N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine?
N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 105148894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).