1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine

C20H31N5 — CID 168629107

IUPAC1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCCCCN(CCCC)Cc1cccc(C=Nn2cc(C)nc2N)c1
InChIInChI=1S/C20H31N5/c1-4-6-11-24(12-7-5-2)16-19-10-8-9-18(13-19)14-22-25-15-17(3)23-20(25)21/h8-10,13-15H,4-7,11-12,16H2,1-3H3,(H2,21,23)
InChIKeyDZIQTAORVAHBIN-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.06
Rot. Bonds10

About 1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629107) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629107
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCCCCN(CCCC)Cc1cccc(C=Nn2cc(C)nc2N)c1
InChIInChI=1S/C20H31N5/c1-4-6-11-24(12-7-5-2)16-19-10-8-9-18(13-19)14-22-25-15-17(3)23-20(25)21/h8-10,13-15H,4-7,11-12,16H2,1-3H3,(H2,21,23)
InChIKeyDZIQTAORVAHBIN-UHFFFAOYSA-N
XLogP4.06
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629127
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine
CID 168628572
4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628935
4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine
CID 168629485
1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629415
[1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol
CID 168630764
1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630092
5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-phenylmethoxybenzoic acid
CID 168629671
1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630451
1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628950
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629237

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168629107) is 1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine is CCCCN(CCCC)Cc1cccc(C=Nn2cc(C)nc2N)c1.
What is the InChIKey of 1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is DZIQTAORVAHBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-4-6-11-24(12-7-5-2)16-19-10-8-9-18(13-19)14-22-25-15-17(3)23-20(25)21/h8-10,13-15H,4-7,11-12,16H2,1-3H3,(H2,21,23).
What are the key properties of 1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 341.50 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).