1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane

C16H34N2 — CID 143029154

IUPAC1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane
SMILESCC.CCC1CCCCN(CCN2CCC2)CC1
InChIInChI=1S/C14H28N2.C2H6/c1-2-14-6-3-4-8-16(11-7-14)13-12-15-9-5-10-15;1-2/h14H,2-13H2,1H3;1-2H3
InChIKeyYFOCOXGOGZYRQQ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.62
Rot. Bonds4

About 1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane

1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane (PubChem CID 143029154) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane
PubChem CID143029154
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane
SMILESCC.CCC1CCCCN(CCN2CCC2)CC1
InChIInChI=1S/C14H28N2.C2H6/c1-2-14-6-3-4-8-16(11-7-14)13-12-15-9-5-10-15;1-2/h14H,2-13H2,1H3;1-2H3
InChIKeyYFOCOXGOGZYRQQ-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-diethylazepane
CID 67522864
1-(9-bromononyl)-4-ethylazepane
CID 105343800
ethane;2-(4-ethylpiperidin-1-yl)ethanol
CID 143029211
ethane;bis(ethylcyclopentane)
CID 158911237
1,4-diethylpiperidine;ethane
CID 143709904
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
1-[2-(4-ethylazepan-1-yl)ethyl]cyclopentan-1-amine
CID 64681225
4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65247436
ethylcyclopentane;methane
CID 143390575
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
tris(ethylcyclopentane);gadolinium
CID 160752471
chromium;bis(ethylcyclopentane)
CID 91996240

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane?
The IUPAC name of 1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane (CID 143029154) is 1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane.
What is the SMILES notation for 1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane?
The canonical SMILES for 1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane is CC.CCC1CCCCN(CCN2CCC2)CC1.
What is the InChIKey of 1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane?
The InChIKey is YFOCOXGOGZYRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C2H6/c1-2-14-6-3-4-8-16(11-7-14)13-12-15-9-5-10-15;1-2/h14H,2-13H2,1H3;1-2H3.
What are the key properties of 1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane?
1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane has a molecular weight of 254.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane is sourced from PubChem (CID 143029154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).