ethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine

C16H29N — CID 142115015

IUPACethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine
SMILESCC.CC/C=C1/CCCN2CCCC(CC)=C12
InChIInChI=1S/C14H23N.C2H6/c1-3-7-13-9-6-11-15-10-5-8-12(4-2)14(13)15;1-2/h7H,3-6,8-11H2,1-2H3;1-2H3/b13-7-;
InChIKeyHSENJJFTOARLGV-QCCGTXRUSA-N
MW235.41 g/mol
LogP4.90
Rot. Bonds2

About ethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine

ethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine (PubChem CID 142115015) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is ethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine.

Molecular Properties

Compound Nameethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine
PubChem CID142115015
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Nameethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine
SMILESCC.CC/C=C1/CCCN2CCCC(CC)=C12
InChIInChI=1S/C14H23N.C2H6/c1-3-7-13-9-6-11-15-10-5-8-12(4-2)14(13)15;1-2/h7H,3-6,8-11H2,1-2H3;1-2H3/b13-7-;
InChIKeyHSENJJFTOARLGV-QCCGTXRUSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine?
The IUPAC name of ethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine (CID 142115015) is ethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine.
What is the SMILES notation for ethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine?
The canonical SMILES for ethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine is CC.CC/C=C1/CCCN2CCCC(CC)=C12.
What is the InChIKey of ethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine?
The InChIKey is HSENJJFTOARLGV-QCCGTXRUSA-N. The full InChI is InChI=1S/C14H23N.C2H6/c1-3-7-13-9-6-11-15-10-5-8-12(4-2)14(13)15;1-2/h7H,3-6,8-11H2,1-2H3;1-2H3/b13-7-;.
What are the key properties of ethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine?
ethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine has a molecular weight of 235.41 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(9Z)-1-ethyl-9-propylidene-2,3,4,6,7,8-hexahydroquinolizine is sourced from PubChem (CID 142115015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).