N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine

C13H25N3S — CID 114222061

IUPACN-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine
SMILESCCNC(CCc1nccn1C)C(C)CSC
InChIInChI=1S/C13H25N3S/c1-5-14-12(11(2)10-17-4)6-7-13-15-8-9-16(13)3/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyRMGIDBZHTUVTGF-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.33
Rot. Bonds8

About N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine

N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine (PubChem CID 114222061) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine
PubChem CID114222061
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine
SMILESCCNC(CCc1nccn1C)C(C)CSC
InChIInChI=1S/C13H25N3S/c1-5-14-12(11(2)10-17-4)6-7-13-15-8-9-16(13)3/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyRMGIDBZHTUVTGF-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

4-ethoxy-N-ethyl-5,5-dimethyl-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530763
N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055
N-ethyl-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 79761819
N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
CID 114530130
N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine
CID 114532985
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 105187670
N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 105050089
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-2-amine
CID 61213705
azane;1-methyl-2-propylimidazole
CID 174525892
3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine
CID 114531574
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 102812906

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine?
The IUPAC name of N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine (CID 114222061) is N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine.
What is the SMILES notation for N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine?
The canonical SMILES for N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine is CCNC(CCc1nccn1C)C(C)CSC.
What is the InChIKey of N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine?
The InChIKey is RMGIDBZHTUVTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-14-12(11(2)10-17-4)6-7-13-15-8-9-16(13)3/h8-9,11-12,14H,5-7,10H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine?
N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-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-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine is sourced from PubChem (CID 114222061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).