(2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine

C13H20N2O — CID 123288093

IUPAC(2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine
SMILES[H]/N=C1CCCC=C/C=C\1CN1CCOCC1
InChIInChI=1S/C13H20N2O/c14-13-6-4-2-1-3-5-12(13)11-15-7-9-16-10-8-15/h1,3,5,14H,2,4,6-11H2/b3-1?,12-5-,14-13+
InChIKeyARBXIMCNESWSAQ-LEMQWNIESA-N
MW220.32 g/mol
LogP2.00
Rot. Bonds2

About (2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine

(2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine (PubChem CID 123288093) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine
PubChem CID123288093
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine
SMILES[H]/N=C1CCCC=C/C=C\1CN1CCOCC1
InChIInChI=1S/C13H20N2O/c14-13-6-4-2-1-3-5-12(13)11-15-7-9-16-10-8-15/h1,3,5,14H,2,4,6-11H2/b3-1?,12-5-,14-13+
InChIKeyARBXIMCNESWSAQ-LEMQWNIESA-N
XLogP2.00
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Morpholin-4-ylcyclohex-2-en-1-imine
CID 91577879
(3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine
CID 118553670
(2Z)-2-[(2-methylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123153923
(2Z)-2-[(3,3-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123165362
(2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine
CID 123266673
N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxy-N-methylethanamine
CID 123358351
[4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-3-yl]methyl acetate
CID 123453154
(2Z)-2-[(2,6-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123463010
(2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123897761
N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine
CID 123909994

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine?
The IUPAC name of (2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine (CID 123288093) is (2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine is [H]/N=C1CCCC=C/C=C\1CN1CCOCC1.
What is the InChIKey of (2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine?
The InChIKey is ARBXIMCNESWSAQ-LEMQWNIESA-N. The full InChI is InChI=1S/C13H20N2O/c14-13-6-4-2-1-3-5-12(13)11-15-7-9-16-10-8-15/h1,3,5,14H,2,4,6-11H2/b3-1?,12-5-,14-13+.
What are the key properties of (2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine?
(2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine has a molecular weight of 220.32 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine is sourced from PubChem (CID 123288093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).