6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine

C10H19N3S — CID 107783913

IUPAC6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine
SMILESCNC(C)CCCCSc1ncc[nH]1
InChIInChI=1S/C10H19N3S/c1-9(11-2)5-3-4-8-14-10-12-6-7-13-10/h6-7,9,11H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyOLLLOMUIVVGJBQ-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.28
Rot. Bonds7

About 6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine

6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine (PubChem CID 107783913) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine.

Molecular Properties

Compound Name6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine
PubChem CID107783913
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine
SMILESCNC(C)CCCCSc1ncc[nH]1
InChIInChI=1S/C10H19N3S/c1-9(11-2)5-3-4-8-14-10-12-6-7-13-10/h6-7,9,11H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyOLLLOMUIVVGJBQ-UHFFFAOYSA-N
XLogP2.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.28
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-[2-(1H-imidazol-2-ylsulfanyl)ethyl]heptan-2-amine
CID 107782431
3-(1H-imidazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 107781358
4-(1H-imidazol-2-ylsulfanyl)butan-1-ol
CID 107780906
N-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-5-methylhexan-2-amine
CID 107782493
N-ethyl-6-(1H-imidazol-2-ylsulfanyl)hexan-3-amine
CID 107783983
5-(1H-imidazol-2-ylsulfanyl)pentane-1-thiol
CID 107784746
9-(1H-imidazol-2-ylsulfanyl)nonane-1-thiol
CID 107784739
N-ethyl-3-(1H-imidazol-2-ylsulfanyl)propan-1-amine
CID 107781363
2-(3-bromopropylsulfanyl)-1H-imidazole
CID 107779117
3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 19031092
N-methyl-6-pyrazin-2-ylsulfanylhexan-2-amine
CID 64626223

Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine?
The IUPAC name of 6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine (CID 107783913) is 6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine.
What is the SMILES notation for 6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine?
The canonical SMILES for 6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine is CNC(C)CCCCSc1ncc[nH]1.
What is the InChIKey of 6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine?
The InChIKey is OLLLOMUIVVGJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-9(11-2)5-3-4-8-14-10-12-6-7-13-10/h6-7,9,11H,3-5,8H2,1-2H3,(H,12,13).
What are the key properties of 6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine?
6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine is sourced from PubChem (CID 107783913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).