3-methyl-4-(methylaminomethyl)-N-(5-methyl-3-methyliminohexa-1,4-dien-2-yl)aniline

C17H25N3 — CID 143316652

IUPAC3-methyl-4-(methylaminomethyl)-N-(5-methyl-3-methyliminohexa-1,4-dien-2-yl)aniline
SMILESC=C(Nc1ccc(CNC)c(C)c1)/C(C=C(C)C)=N/C
InChIInChI=1S/C17H25N3/c1-12(2)9-17(19-6)14(4)20-16-8-7-15(11-18-5)13(3)10-16/h7-10,18,20H,4,11H2,1-3,5-6H3/b19-17+
InChIKeyJDBQMLSGGPNZBE-HTXNQAPBSA-N
MW271.41 g/mol
LogP3.68
Rot. Bonds6

About 3-methyl-4-(methylaminomethyl)-N-(5-methyl-3-methyliminohexa-1,4-dien-2-yl)aniline

3-methyl-4-(methylaminomethyl)-N-(5-methyl-3-methyliminohexa-1,4-dien-2-yl)aniline (PubChem CID 143316652) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-methyl-4-(methylaminomethyl)-N-(5-methyl-3-methyliminohexa-1,4-dien-2-yl)aniline.

Molecular Properties

Compound Name3-methyl-4-(methylaminomethyl)-N-(5-methyl-3-methyliminohexa-1,4-dien-2-yl)aniline
PubChem CID143316652
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-methyl-4-(methylaminomethyl)-N-(5-methyl-3-methyliminohexa-1,4-dien-2-yl)aniline
SMILESC=C(Nc1ccc(CNC)c(C)c1)/C(C=C(C)C)=N/C
InChIInChI=1S/C17H25N3/c1-12(2)9-17(19-6)14(4)20-16-8-7-15(11-18-5)13(3)10-16/h7-10,18,20H,4,11H2,1-3,5-6H3/b19-17+
InChIKeyJDBQMLSGGPNZBE-HTXNQAPBSA-N
XLogP3.68
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide
CID 174067089
3-methyl-4-(methylaminomethyl)aniline
CID 45078678
1-[3-methyl-4-(methylaminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106670433
3-methyl-4-(methylaminomethyl)benzoic acid
CID 117219353
N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide
CID 114250285
1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen
CID 176703161
N,N,3-trimethyl-4-(methylaminomethyl)aniline
CID 62135688
5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol
CID 107201156
N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide
CID 82504711
N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide
CID 154786137
[3-methyl-4-[[3-(methylamino)propylamino]methyl]phenyl]boronic acid;2-methylprop-1-ene
CID 177314769
(E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide
CID 142913315

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(methylaminomethyl)-N-(5-methyl-3-methyliminohexa-1,4-dien-2-yl)aniline?
The IUPAC name of 3-methyl-4-(methylaminomethyl)-N-(5-methyl-3-methyliminohexa-1,4-dien-2-yl)aniline (CID 143316652) is 3-methyl-4-(methylaminomethyl)-N-(5-methyl-3-methyliminohexa-1,4-dien-2-yl)aniline.
What is the SMILES notation for 3-methyl-4-(methylaminomethyl)-N-(5-methyl-3-methyliminohexa-1,4-dien-2-yl)aniline?
The canonical SMILES for 3-methyl-4-(methylaminomethyl)-N-(5-methyl-3-methyliminohexa-1,4-dien-2-yl)aniline is C=C(Nc1ccc(CNC)c(C)c1)/C(C=C(C)C)=N/C.
What is the InChIKey of 3-methyl-4-(methylaminomethyl)-N-(5-methyl-3-methyliminohexa-1,4-dien-2-yl)aniline?
The InChIKey is JDBQMLSGGPNZBE-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)9-17(19-6)14(4)20-16-8-7-15(11-18-5)13(3)10-16/h7-10,18,20H,4,11H2,1-3,5-6H3/b19-17+.
What are the key properties of 3-methyl-4-(methylaminomethyl)-N-(5-methyl-3-methyliminohexa-1,4-dien-2-yl)aniline?
3-methyl-4-(methylaminomethyl)-N-(5-methyl-3-methyliminohexa-1,4-dien-2-yl)aniline has a molecular weight of 271.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(methylaminomethyl)-N-(5-methyl-3-methyliminohexa-1,4-dien-2-yl)aniline is sourced from PubChem (CID 143316652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).