3-ethyl-1,5-dimethylazocane

C11H23N — CID 178124783

IUPAC3-ethyl-1,5-dimethylazocane
SMILESCCC1CC(C)CCCN(C)C1
InChIInChI=1S/C11H23N/c1-4-11-8-10(2)6-5-7-12(3)9-11/h10-11H,4-9H2,1-3H3
InChIKeyMDRUTEKRACSZIE-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.76
Rot. Bonds1

About 3-ethyl-1,5-dimethylazocane

3-ethyl-1,5-dimethylazocane (PubChem CID 178124783) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-ethyl-1,5-dimethylazocane.

Molecular Properties

Compound Name3-ethyl-1,5-dimethylazocane
PubChem CID178124783
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-ethyl-1,5-dimethylazocane
SMILESCCC1CC(C)CCCN(C)C1
InChIInChI=1S/C11H23N/c1-4-11-8-10(2)6-5-7-12(3)9-11/h10-11H,4-9H2,1-3H3
InChIKeyMDRUTEKRACSZIE-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-ethyl-1-methylpiperidine
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(3R)-1,3-dimethylpiperidine
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(3S)-1,3-dimethylpiperidine
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trans-(1S,3S)-1-ethyl-3-methylcyclohexane
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bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine
CID 161292212
1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane
CID 159125347
3-ethyl-1-methylpyrrolidine;methane
CID 161184146
3-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclopentan-1-amine
CID 64502172
methylcyclohexane;1-methyl-3-pentylpiperidine
CID 143571089
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine
CID 177009372

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,5-dimethylazocane?
The IUPAC name of 3-ethyl-1,5-dimethylazocane (CID 178124783) is 3-ethyl-1,5-dimethylazocane.
What is the SMILES notation for 3-ethyl-1,5-dimethylazocane?
The canonical SMILES for 3-ethyl-1,5-dimethylazocane is CCC1CC(C)CCCN(C)C1.
What is the InChIKey of 3-ethyl-1,5-dimethylazocane?
The InChIKey is MDRUTEKRACSZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-11-8-10(2)6-5-7-12(3)9-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-1,5-dimethylazocane?
3-ethyl-1,5-dimethylazocane has a molecular weight of 169.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,5-dimethylazocane is sourced from PubChem (CID 178124783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).