6-ethyl-1,4-dimethyl-1,4-diazocane

C10H22N2 — CID 174327849

IUPAC6-ethyl-1,4-dimethyl-1,4-diazocane
SMILESCCC1CCN(C)CCN(C)C1
InChIInChI=1S/C10H22N2/c1-4-10-5-6-11(2)7-8-12(3)9-10/h10H,4-9H2,1-3H3
InChIKeyTUFGEBMRBQBTTO-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.28
Rot. Bonds1

About 6-ethyl-1,4-dimethyl-1,4-diazocane

6-ethyl-1,4-dimethyl-1,4-diazocane (PubChem CID 174327849) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 6-ethyl-1,4-dimethyl-1,4-diazocane.

Molecular Properties

Compound Name6-ethyl-1,4-dimethyl-1,4-diazocane
PubChem CID174327849
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name6-ethyl-1,4-dimethyl-1,4-diazocane
SMILESCCC1CCN(C)CCN(C)C1
InChIInChI=1S/C10H22N2/c1-4-10-5-6-11(2)7-8-12(3)9-10/h10H,4-9H2,1-3H3
InChIKeyTUFGEBMRBQBTTO-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-methylpyrrolidine;methane
CID 161184146
bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine
CID 161292212
ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine
CID 177009372
4-ethyl-1-methylpiperidine;formonitrile
CID 175849532
4-ethyl-1-methylpiperidine;methoxymethane
CID 90698783
ethane;3-ethyl-1-methylpiperidine
CID 142833851
1,4-diethylpiperidine;1-ethyl-4-methylpiperazine
CID 143157970
1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 167265161
3-(cyclopropylmethyl)-1-methylpyrrolidine
CID 127006990
(4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 14084840
(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 131972870
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,4-dimethyl-1,4-diazocane?
The IUPAC name of 6-ethyl-1,4-dimethyl-1,4-diazocane (CID 174327849) is 6-ethyl-1,4-dimethyl-1,4-diazocane.
What is the SMILES notation for 6-ethyl-1,4-dimethyl-1,4-diazocane?
The canonical SMILES for 6-ethyl-1,4-dimethyl-1,4-diazocane is CCC1CCN(C)CCN(C)C1.
What is the InChIKey of 6-ethyl-1,4-dimethyl-1,4-diazocane?
The InChIKey is TUFGEBMRBQBTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-10-5-6-11(2)7-8-12(3)9-10/h10H,4-9H2,1-3H3.
What are the key properties of 6-ethyl-1,4-dimethyl-1,4-diazocane?
6-ethyl-1,4-dimethyl-1,4-diazocane has a molecular weight of 170.30 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,4-dimethyl-1,4-diazocane is sourced from PubChem (CID 174327849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).