N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine

C13H25N3S — CID 79760751

IUPACN-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCCNC(CSCC(C)C)Cc1nccn1C
InChIInChI=1S/C13H25N3S/c1-5-14-12(10-17-9-11(2)3)8-13-15-6-7-16(13)4/h6-7,11-12,14H,5,8-10H2,1-4H3
InChIKeyGMSXJLXVVRAEHW-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.33
Rot. Bonds8

About N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine

N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 79760751) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID79760751
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCCNC(CSCC(C)C)Cc1nccn1C
InChIInChI=1S/C13H25N3S/c1-5-14-12(10-17-9-11(2)3)8-13-15-6-7-16(13)4/h6-7,11-12,14H,5,8-10H2,1-4H3
InChIKeyGMSXJLXVVRAEHW-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine
CID 105167249
1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761877
N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055
1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 103546972
N-ethyl-1-(1-methylimidazol-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 79752465
N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105167284
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761359
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 64666233
1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine
CID 79760472
N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine
CID 114222061
N-ethyl-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 79761819

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine (CID 79760751) is N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine is CCNC(CSCC(C)C)Cc1nccn1C.
What is the InChIKey of N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is GMSXJLXVVRAEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-14-12(10-17-9-11(2)3)8-13-15-6-7-16(13)4/h6-7,11-12,14H,5,8-10H2,1-4H3.
What are the key properties of N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine?
N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine has a molecular weight of 255.43 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 79760751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).