N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine

C13H23N3S — CID 107783899

IUPACN-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine
SMILESCCNC1CCCCCCC1Sc1ncc[nH]1
InChIInChI=1S/C13H23N3S/c1-2-14-11-7-5-3-4-6-8-12(11)17-13-15-9-10-16-13/h9-12,14H,2-8H2,1H3,(H,15,16)
InChIKeyBNJJRVYOTHYJKX-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.20
Rot. Bonds4

About N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine

N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine (PubChem CID 107783899) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine
PubChem CID107783899
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine
SMILESCCNC1CCCCCCC1Sc1ncc[nH]1
InChIInChI=1S/C13H23N3S/c1-2-14-11-7-5-3-4-6-8-12(11)17-13-15-9-10-16-13/h9-12,14H,2-8H2,1H3,(H,15,16)
InChIKeyBNJJRVYOTHYJKX-UHFFFAOYSA-N
XLogP3.20
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclooctan-1-amine
CID 64620816
N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine
CID 107784030
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
CID 106927228
N-ethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64649496
N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine
CID 64620707
N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 64626127
4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine
CID 107783843
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
CID 64631481
N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine
CID 107784224
N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
CID 64619864
6-(1H-imidazol-2-ylsulfanyl)-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107784035
2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclooctan-1-amine
CID 64648566

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine?
The IUPAC name of N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine (CID 107783899) is N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine.
What is the SMILES notation for N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine?
The canonical SMILES for N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine is CCNC1CCCCCCC1Sc1ncc[nH]1.
What is the InChIKey of N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine?
The InChIKey is BNJJRVYOTHYJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-2-14-11-7-5-3-4-6-8-12(11)17-13-15-9-10-16-13/h9-12,14H,2-8H2,1H3,(H,15,16).
What are the key properties of N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine?
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine is sourced from PubChem (CID 107783899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).