(2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine

C15H24N2O — CID 123897761

IUPAC(2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine
SMILES[H]/N=C1CCCC=C/C=C\1CN1CCOC(C)(C)C1
InChIInChI=1S/C15H24N2O/c1-15(2)12-17(9-10-18-15)11-13-7-5-3-4-6-8-14(13)16/h3,5,7,16H,4,6,8-12H2,1-2H3/b5-3?,13-7-,16-14+
InChIKeyRHSFECDLPDTZPP-JMZOWWAXSA-N
MW248.37 g/mol
LogP2.78
Rot. Bonds2

About (2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine

(2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine (PubChem CID 123897761) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine
PubChem CID123897761
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine
SMILES[H]/N=C1CCCC=C/C=C\1CN1CCOC(C)(C)C1
InChIInChI=1S/C15H24N2O/c1-15(2)12-17(9-10-18-15)11-13-7-5-3-4-6-8-14(13)16/h3,5,7,16H,4,6,8-12H2,1-2H3/b5-3?,13-7-,16-14+
InChIKeyRHSFECDLPDTZPP-JMZOWWAXSA-N
XLogP2.78
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.78
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

(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-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine
CID 123288093
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-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123628257
[4-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]morpholin-2-yl]methyl acetate
CID 123766338
tert-butyl N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-(2-morpholin-4-ylethyl)carbamate
CID 123843250
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-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine?
The IUPAC name of (2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine (CID 123897761) is (2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine is [H]/N=C1CCCC=C/C=C\1CN1CCOC(C)(C)C1.
What is the InChIKey of (2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine?
The InChIKey is RHSFECDLPDTZPP-JMZOWWAXSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2)12-17(9-10-18-15)11-13-7-5-3-4-6-8-14(13)16/h3,5,7,16H,4,6,8-12H2,1-2H3/b5-3?,13-7-,16-14+.
What are the key properties of (2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine?
(2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine has a molecular weight of 248.37 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine is sourced from PubChem (CID 123897761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).