(2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane

C14H23N — CID 142245183

IUPAC(2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane
SMILESC/C=C\C=C1\CCCCN\C1=C(\C)CC
InChIInChI=1S/C14H23N/c1-4-6-9-13-10-7-8-11-15-14(13)12(3)5-2/h4,6,9,15H,5,7-8,10-11H2,1-3H3/b6-4-,13-9-,14-12-
InChIKeyJXGABXRVDBMBKI-QZCVTULQSA-N
MW205.34 g/mol
LogP3.95
Rot. Bonds2

About (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane

(2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane (PubChem CID 142245183) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane.

Molecular Properties

Compound Name(2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane
PubChem CID142245183
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane
SMILESC/C=C\C=C1\CCCCN\C1=C(\C)CC
InChIInChI=1S/C14H23N/c1-4-6-9-13-10-7-8-11-15-14(13)12(3)5-2/h4,6,9,15H,5,7-8,10-11H2,1-3H3/b6-4-,13-9-,14-12-
InChIKeyJXGABXRVDBMBKI-QZCVTULQSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane?
The IUPAC name of (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane (CID 142245183) is (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane.
What is the SMILES notation for (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane?
The canonical SMILES for (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane is C/C=C\C=C1\CCCCN\C1=C(\C)CC.
What is the InChIKey of (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane?
The InChIKey is JXGABXRVDBMBKI-QZCVTULQSA-N. The full InChI is InChI=1S/C14H23N/c1-4-6-9-13-10-7-8-11-15-14(13)12(3)5-2/h4,6,9,15H,5,7-8,10-11H2,1-3H3/b6-4-,13-9-,14-12-.
What are the key properties of (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane?
(2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane has a molecular weight of 205.34 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane is sourced from PubChem (CID 142245183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).