(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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Related Compounds

N-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine
CID 142253748
(3Z)-3-[(Z)-but-2-enylidene]azepane;2-methylbut-1-ene
CID 142834097
(1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecyclohexane;ethane
CID 142131776
(E,12Z)-2-acetamido-12-[(2E)-2-butan-2-ylidenepiperidin-3-ylidene]-10-methyldodec-10-enoic acid
CID 163625846
(1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane
CID 143536598
2-but-2-enylidenecyclododecan-1-one
CID 72612267
(1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane
CID 102151765
azepan-2-one;butan-2-one
CID 174586665
(1Z)-1-[(Z)-but-2-enylidene]-2-methylidenecyclopentane;ethane
CID 143072942
(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepiperidine-2-thione;ethane
CID 143288880
(2E)-2-[(Z)-but-2-enylidene]-3-ethenylidenepiperidine
CID 176520993
(2Z,3Z)-3-[(Z)-but-2-enylidene]-2-ethylideneoxane
CID 89289028

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).