N-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine

C11H21N3S — CID 107783983

IUPACN-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine
SMILESCCNC(CC)CCCSc1ncc[nH]1
InChIInChI=1S/C11H21N3S/c1-3-10(12-4-2)6-5-9-15-11-13-7-8-14-11/h7-8,10,12H,3-6,9H2,1-2H3,(H,13,14)
InChIKeyFVJIEGGFIVETJV-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.67
Rot. Bonds8

About N-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine

N-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine (PubChem CID 107783983) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine
PubChem CID107783983
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine
SMILESCCNC(CC)CCCSc1ncc[nH]1
InChIInChI=1S/C11H21N3S/c1-3-10(12-4-2)6-5-9-15-11-13-7-8-14-11/h7-8,10,12H,3-6,9H2,1-2H3,(H,13,14)
InChIKeyFVJIEGGFIVETJV-UHFFFAOYSA-N
XLogP2.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine
CID 107784010
N-ethyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)hexan-3-amine
CID 106808211
N-ethyl-3-(1H-imidazol-2-ylsulfanyl)propan-1-amine
CID 107781363
3-(1H-imidazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 107781358
6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine
CID 107783913
N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]hexan-3-amine
CID 106808357
N-[2-(1H-imidazol-2-ylsulfanyl)ethyl]heptan-2-amine
CID 107782431
3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 19031092
2-(3-bromopropylsulfanyl)-1H-imidazole
CID 107779117
4-(1H-imidazol-2-ylsulfanyl)butan-1-ol
CID 107780906
N-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-5-methylhexan-2-amine
CID 107782493
5-(1H-imidazol-2-ylsulfanyl)pentane-1-thiol
CID 107784746

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine?
The IUPAC name of N-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine (CID 107783983) is N-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine.
What is the SMILES notation for N-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine?
The canonical SMILES for N-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine is CCNC(CC)CCCSc1ncc[nH]1.
What is the InChIKey of N-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine?
The InChIKey is FVJIEGGFIVETJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-3-10(12-4-2)6-5-9-15-11-13-7-8-14-11/h7-8,10,12H,3-6,9H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine?
N-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine has a molecular weight of 227.38 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine is sourced from PubChem (CID 107783983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).