ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine

C16H33N — CID 143519935

IUPACethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine
SMILESC=C/C=C1/CCNC/C1=C/C.CC.CC.CC
InChIInChI=1S/C10H15N.3C2H6/c1-3-5-10-6-7-11-8-9(10)4-2;3*1-2/h3-5,11H,1,6-8H2,2H3;3*1-2H3/b9-4-,10-5-;;;
InChIKeyKMPSNMQAYZMTDZ-VATPVINNSA-N
MW239.45 g/mol
LogP5.12
Rot. Bonds1

About ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine

ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine (PubChem CID 143519935) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine.

Molecular Properties

Compound Nameethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine
PubChem CID143519935
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Nameethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine
SMILESC=C/C=C1/CCNC/C1=C/C.CC.CC.CC
InChIInChI=1S/C10H15N.3C2H6/c1-3-5-10-6-7-11-8-9(10)4-2;3*1-2/h3-5,11H,1,6-8H2,2H3;3*1-2H3/b9-4-,10-5-;;;
InChIKeyKMPSNMQAYZMTDZ-VATPVINNSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine?
The IUPAC name of ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine (CID 143519935) is ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine.
What is the SMILES notation for ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine?
The canonical SMILES for ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine is C=C/C=C1/CCNC/C1=C/C.CC.CC.CC.
What is the InChIKey of ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine?
The InChIKey is KMPSNMQAYZMTDZ-VATPVINNSA-N. The full InChI is InChI=1S/C10H15N.3C2H6/c1-3-5-10-6-7-11-8-9(10)4-2;3*1-2/h3-5,11H,1,6-8H2,2H3;3*1-2H3/b9-4-,10-5-;;;.
What are the key properties of ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine?
ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine has a molecular weight of 239.45 g/mol, XLogP of 5.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine is sourced from PubChem (CID 143519935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).