N-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine

C16H27N3O — CID 142030133

IUPACN-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine
SMILESC/N=C/c1cccc(C)c1.CC(=O)N(C)CCN(C)C
InChIInChI=1S/C9H11N.C7H16N2O/c1-8-4-3-5-9(6-8)7-10-2;1-7(10)9(4)6-5-8(2)3/h3-7H,1-2H3;5-6H2,1-4H3/b10-7+;
InChIKeyLCDJSNGGSFRCLI-HCUGZAAXSA-N
MW277.41 g/mol
LogP2.07
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine

N-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine (PubChem CID 142030133) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine
PubChem CID142030133
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine
SMILESC/N=C/c1cccc(C)c1.CC(=O)N(C)CCN(C)C
InChIInChI=1S/C9H11N.C7H16N2O/c1-8-4-3-5-9(6-8)7-10-2;1-7(10)9(4)6-5-8(2)3/h3-7H,1-2H3;5-6H2,1-4H3/b10-7+;
InChIKeyLCDJSNGGSFRCLI-HCUGZAAXSA-N
XLogP2.07
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methylacetamide;ethane
CID 143604144
3-methyl-4-(3-methylphenyl)but-3-en-2-one
CID 67408279
(E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 107202427
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
2-methyl-3-[methyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]propanoic acid
CID 55008257
ethyl N-[(3-methylphenyl)methylideneamino]carbamate
CID 2692645
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
N-[2-(3-formylphenoxy)ethyl]-N-methylacetamide
CID 82037059
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
N-[4-(3-methylphenyl)but-3-enyl]acetamide
CID 170488073
N'-[(3-methylphenyl)methylideneamino]-N-prop-2-enylpropanediamide
CID 15945666
1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one
CID 54137742

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine (CID 142030133) is N-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine is C/N=C/c1cccc(C)c1.CC(=O)N(C)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine?
The InChIKey is LCDJSNGGSFRCLI-HCUGZAAXSA-N. The full InChI is InChI=1S/C9H11N.C7H16N2O/c1-8-4-3-5-9(6-8)7-10-2;1-7(10)9(4)6-5-8(2)3/h3-7H,1-2H3;5-6H2,1-4H3/b10-7+;.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine?
N-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine has a molecular weight of 277.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine is sourced from PubChem (CID 142030133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).