ethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane

C14H25N — CID 143691352

IUPACethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane
SMILESC=C(/C=C1/CCNCCC1=C)CC.CC
InChIInChI=1S/C12H19N.C2H6/c1-4-10(2)9-12-6-8-13-7-5-11(12)3;1-2/h9,13H,2-8H2,1H3;1-2H3/b12-9-;
InChIKeyQEAMGQNJFSKADP-MWMYENNMSA-N
MW207.36 g/mol
LogP3.84
Rot. Bonds2

About ethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane

ethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane (PubChem CID 143691352) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is ethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane.

Molecular Properties

Compound Nameethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane
PubChem CID143691352
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Nameethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane
SMILESC=C(/C=C1/CCNCCC1=C)CC.CC
InChIInChI=1S/C12H19N.C2H6/c1-4-10(2)9-12-6-8-13-7-5-11(12)3;1-2/h9,13H,2-8H2,1H3;1-2H3/b12-9-;
InChIKeyQEAMGQNJFSKADP-MWMYENNMSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane?
The IUPAC name of ethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane (CID 143691352) is ethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane.
What is the SMILES notation for ethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane?
The canonical SMILES for ethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane is C=C(/C=C1/CCNCCC1=C)CC.CC.
What is the InChIKey of ethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane?
The InChIKey is QEAMGQNJFSKADP-MWMYENNMSA-N. The full InChI is InChI=1S/C12H19N.C2H6/c1-4-10(2)9-12-6-8-13-7-5-11(12)3;1-2/h9,13H,2-8H2,1H3;1-2H3/b12-9-;.
What are the key properties of ethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane?
ethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane has a molecular weight of 207.36 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-4-methylidene-5-(2-methylidenebutylidene)azepane is sourced from PubChem (CID 143691352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).