N-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine

C16H20N2O — CID 57239067

IUPACN-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine
SMILESCOC(=C1CC=CCC1=NN(C)C)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-18(2)17-15-12-8-7-11-14(15)16(19-3)13-9-5-4-6-10-13/h4-10H,11-12H2,1-3H3
InChIKeyYYJABXAFLALXEF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.31
Rot. Bonds3

About N-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine

N-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine (PubChem CID 57239067) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine
PubChem CID57239067
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine
SMILESCOC(=C1CC=CCC1=NN(C)C)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-18(2)17-15-12-8-7-11-14(15)16(19-3)13-9-5-4-6-10-13/h4-10H,11-12H2,1-3H3
InChIKeyYYJABXAFLALXEF-UHFFFAOYSA-N
XLogP3.31
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine with MolForge

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Related Compounds

Dimethyl-(4-methyl-2-phenylchromen-7-ylidene)azanium
CID 88010727
4-(4-(Dimethylamino)phenyl)-2,6-diphenylpyrylium
CID 113003
[2-(4-Fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium
CID 150327512
4-(2,6-Diphenylpyran-4-ylidene)-1,3,5-trimethylpyrazol-1-ium perchlorate
CID 12808405
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-N-methylmethanamine
CID 13816327
2,6-Diphenyl-4-(4-dimethylaminostyryl)pyrylium chloride
CID 15686504
4-(N,N-dimethylaminophenyl)-2,6-diphenylpyrylium perchlorate
CID 129760252
N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine
CID 134877010
N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine
CID 134895946
N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine
CID 134896028
[4-(2,6-Diphenylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium triiodide
CID 134909477
[4-(Dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium
CID 13485918

Frequently Asked Questions

What is the IUPAC name of N-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine (CID 57239067) is N-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine is COC(=C1CC=CCC1=NN(C)C)c1ccccc1.
What is the InChIKey of N-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine?
The InChIKey is YYJABXAFLALXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(2)17-15-12-8-7-11-14(15)16(19-3)13-9-5-4-6-10-13/h4-10H,11-12H2,1-3H3.
What are the key properties of N-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine?
N-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[methoxy(phenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 57239067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).