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

C14H20N2O — CID 134895946

IUPACN-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine
SMILESC=CCOC(C)/C(=N/N(C)C)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-5-11-17-12(2)14(15-16(3)4)13-9-7-6-8-10-13/h5-10,12H,1,11H2,2-4H3/b15-14-
InChIKeyVWMJOFSPUZRMPW-PFONDFGASA-N
MW232.33 g/mol
LogP2.54
Rot. Bonds6

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

N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine (PubChem CID 134895946) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine
PubChem CID134895946
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine
SMILESC=CCOC(C)/C(=N/N(C)C)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-5-11-17-12(2)14(15-16(3)4)13-9-7-6-8-10-13/h5-10,12H,1,11H2,2-4H3/b15-14-
InChIKeyVWMJOFSPUZRMPW-PFONDFGASA-N
XLogP2.54
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

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CID 20517773
3-Methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine
CID 365916
2-But-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine
CID 88848971
1-(2,3-difluorophenyl)-N-methyl-2-prop-2-enoxyethanimine
CID 126591421
(2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine
CID 139386398
N-[1-(2-fluorophenyl)-2-pent-1-en-3-yloxyethylidene]hydroxylamine
CID 161780298
(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-enoxyethylidene)amino]methanamine
CID 134896028
(1E)-1-(dimethylhydrazinylidene)-2-methyl-1-phenylpent-4-en-2-ol
CID 134930482
(1E)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol
CID 134992753

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine?
The IUPAC name of N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine (CID 134895946) is N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine is C=CCOC(C)/C(=N/N(C)C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine?
The InChIKey is VWMJOFSPUZRMPW-PFONDFGASA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-11-17-12(2)14(15-16(3)4)13-9-7-6-8-10-13/h5-10,12H,1,11H2,2-4H3/b15-14-.
What are the key properties of N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine?
N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine has a molecular weight of 232.33 g/mol, XLogP of 2.54, 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-enoxypropylidene)amino]methanamine is sourced from PubChem (CID 134895946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).