5-[(3-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane

C14H22N2O — CID 91030497

IUPAC5-[(3-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane
SMILESCOC1=CC(=CC2CCCNCCN2)CC=C1
InChIInChI=1S/C14H22N2O/c1-17-14-6-2-4-12(11-14)10-13-5-3-7-15-8-9-16-13/h2,6,10-11,13,15-16H,3-5,7-9H2,1H3
InChIKeyMZSAIECNIJQPQO-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.74
Rot. Bonds2

About 5-[(3-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane

5-[(3-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane (PubChem CID 91030497) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-[(3-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane.

Molecular Properties

Compound Name5-[(3-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane
PubChem CID91030497
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-[(3-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane
SMILESCOC1=CC(=CC2CCCNCCN2)CC=C1
InChIInChI=1S/C14H22N2O/c1-17-14-6-2-4-12(11-14)10-13-5-3-7-15-8-9-16-13/h2,6,10-11,13,15-16H,3-5,7-9H2,1H3
InChIKeyMZSAIECNIJQPQO-UHFFFAOYSA-N
XLogP1.74
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine
CID 123227496
1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 142147408
(3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine
CID 143024917
(4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine
CID 143615637
1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
CID 143829328
4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
CID 143832123
ethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
CID 144745897

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane?
The IUPAC name of 5-[(3-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane (CID 91030497) is 5-[(3-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane.
What is the SMILES notation for 5-[(3-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane?
The canonical SMILES for 5-[(3-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane is COC1=CC(=CC2CCCNCCN2)CC=C1.
What is the InChIKey of 5-[(3-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane?
The InChIKey is MZSAIECNIJQPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-14-6-2-4-12(11-14)10-13-5-3-7-15-8-9-16-13/h2,6,10-11,13,15-16H,3-5,7-9H2,1H3.
What are the key properties of 5-[(3-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane?
5-[(3-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane has a molecular weight of 234.34 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane is sourced from PubChem (CID 91030497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).