N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine

C13H18N2O — CID 134896028

IUPACN-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine
SMILESC=CCOC/C(=N/N(C)C)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-4-10-16-11-13(14-15(2)3)12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3/b14-13-
InChIKeySASJUBZHEOGNSJ-YPKPFQOOSA-N
MW218.30 g/mol
LogP2.15
Rot. Bonds6

About N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine

N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine (PubChem CID 134896028) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine
PubChem CID134896028
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine
SMILESC=CCOC/C(=N/N(C)C)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-4-10-16-11-13(14-15(2)3)12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3/b14-13-
InChIKeySASJUBZHEOGNSJ-YPKPFQOOSA-N
XLogP2.15
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

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Related Compounds

2,2-Dimethyl-4-phenyl-3-oxazoline
CID 20517773
1-(2,3-difluorophenyl)-N-methyl-2-prop-2-enoxyethanimine
CID 126591421
(1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol
CID 14470973
(1Z)-1-(dimethylhydrazinylidene)-2-methyl-1-phenylpent-4-en-2-ol
CID 14470974
N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine
CID 134877010
N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine
CID 134895946
(1E)-1-(dimethylhydrazinylidene)-2-methyl-1-phenylpent-4-en-2-ol
CID 134930482
(1E)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol
CID 134992753
(1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate
CID 134995905
3-methyl-5-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine
CID 14024805
N-[(Z)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine
CID 5961324
Acetophenone, 2-methoxy-, azine
CID 9601600

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine?
The IUPAC name of N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine (CID 134896028) is N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine is C=CCOC/C(=N/N(C)C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine?
The InChIKey is SASJUBZHEOGNSJ-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-10-16-11-13(14-15(2)3)12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3/b14-13-.
What are the key properties of N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine?
N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine has a molecular weight of 218.30 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine is sourced from PubChem (CID 134896028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).