(3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane

C12H19N — CID 142834169

IUPAC(3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane
SMILESC=C1NCCCCC/C1=C/C=C\C
InChIInChI=1S/C12H19N/c1-3-4-8-12-9-6-5-7-10-13-11(12)2/h3-4,8,13H,2,5-7,9-10H2,1H3/b4-3-,12-8-
InChIKeyDVIJYLYQFZGVBL-QISPATLQSA-N
MW177.29 g/mol
LogP3.17
Rot. Bonds1

About (3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane

(3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane (PubChem CID 142834169) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane.

Molecular Properties

Compound Name(3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane
PubChem CID142834169
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane
SMILESC=C1NCCCCC/C1=C/C=C\C
InChIInChI=1S/C12H19N/c1-3-4-8-12-9-6-5-7-10-13-11(12)2/h3-4,8,13H,2,5-7,9-10H2,1H3/b4-3-,12-8-
InChIKeyDVIJYLYQFZGVBL-QISPATLQSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4E)-4-methyl-3-methylidene-N-[1-(6-propylcyclohexa-1,5-dien-1-yl)ethenyl]hepta-4,6-dien-1-amine
CID 134223126
N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine
CID 134224990
(2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine
CID 143466495
4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine
CID 156821650
(3Z)-N-propan-2-yl-3-prop-2-enylidenecyclohexen-1-amine
CID 134948808
CID 58174509
CID 58174509
7-(cyclohepten-1-yl)-2,3,4,5-tetrahydro-1H-azepine
CID 66818339
N-ethyl-2-methyl-6-methylidenecyclohexen-1-amine
CID 68375539
N-ethyl-3,4-dimethylcyclohexa-1,3-dien-1-amine
CID 70336719
7-cyclohepta-1,3-dien-1-yl-2,3-dihydro-1H-azepine
CID 87166617
(5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine
CID 89067155
4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine
CID 89168426

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane?
The IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane (CID 142834169) is (3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane.
What is the SMILES notation for (3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane?
The canonical SMILES for (3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane is C=C1NCCCCC/C1=C/C=C\C.
What is the InChIKey of (3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane?
The InChIKey is DVIJYLYQFZGVBL-QISPATLQSA-N. The full InChI is InChI=1S/C12H19N/c1-3-4-8-12-9-6-5-7-10-13-11(12)2/h3-4,8,13H,2,5-7,9-10H2,1H3/b4-3-,12-8-.
What are the key properties of (3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane?
(3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane has a molecular weight of 177.29 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-but-2-enylidene]-2-methylideneazocane is sourced from PubChem (CID 142834169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).