N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine

C13H25N3S — CID 65135355

IUPACN-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1C(CSCC(C)C)NC
InChIInChI=1S/C13H25N3S/c1-5-7-16-8-6-15-13(16)12(14-4)10-17-9-11(2)3/h6,8,11-12,14H,5,7,9-10H2,1-4H3
InChIKeyNEVQXTLXSOOLEM-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.94
Rot. Bonds8

About N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine

N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine (PubChem CID 65135355) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine
PubChem CID65135355
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1C(CSCC(C)C)NC
InChIInChI=1S/C13H25N3S/c1-5-7-16-8-6-15-13(16)12(14-4)10-17-9-11(2)3/h6,8,11-12,14H,5,7,9-10H2,1-4H3
InChIKeyNEVQXTLXSOOLEM-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethylimidazol-2-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135149
4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine
CID 105148962
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-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 105148894
N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63967916
N-ethyl-2-methoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 63970852
2-(2-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)ethanamine
CID 63970219
2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 64534593
N-ethyl-1-(1-propylimidazol-2-yl)nonan-1-amine
CID 115859033
N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 65140274

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine (CID 65135355) is N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1C(CSCC(C)C)NC.
What is the InChIKey of N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is NEVQXTLXSOOLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-7-16-8-6-15-13(16)12(14-4)10-17-9-11(2)3/h6,8,11-12,14H,5,7,9-10H2,1-4H3.
What are the key properties of N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine?
N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 255.43 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 65135355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).