1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine

C19H25N5O — CID 168629415

IUPAC1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESC=CCN(CC=C)Cc1cc(C=Nn2cc(C)nc2N)ccc1OC
InChIInChI=1S/C19H25N5O/c1-5-9-23(10-6-2)14-17-11-16(7-8-18(17)25-4)12-21-24-13-15(3)22-19(24)20/h5-8,11-13H,1-2,9-10,14H2,3-4H3,(H2,20,22)
InChIKeyOAWYNKGIDVAMEV-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.84
Rot. Bonds9

About 1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629415) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629415
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESC=CCN(CC=C)Cc1cc(C=Nn2cc(C)nc2N)ccc1OC
InChIInChI=1S/C19H25N5O/c1-5-9-23(10-6-2)14-17-11-16(7-8-18(17)25-4)12-21-24-13-15(3)22-19(24)20/h5-8,11-13H,1-2,9-10,14H2,3-4H3,(H2,20,22)
InChIKeyOAWYNKGIDVAMEV-UHFFFAOYSA-N
XLogP2.84
TPSA68.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629270
3-[[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]methyl]-4-methoxybenzaldehyde
CID 168630555
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
1-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629441
4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine
CID 168629924
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305
1-[[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629278
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630629
1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630067
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492
methyl 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetate
CID 168629904
1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629035

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168629415) is 1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine is C=CCN(CC=C)Cc1cc(C=Nn2cc(C)nc2N)ccc1OC.
What is the InChIKey of 1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is OAWYNKGIDVAMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-5-9-23(10-6-2)14-17-11-16(7-8-18(17)25-4)12-21-24-13-15(3)22-19(24)20/h5-8,11-13H,1-2,9-10,14H2,3-4H3,(H2,20,22).
What are the key properties of 1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 339.44 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).