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

C18H27N5 — CID 168629127

IUPAC1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCCCN(CCC)Cc1cccc(C=Nn2cc(C)nc2N)c1
InChIInChI=1S/C18H27N5/c1-4-9-22(10-5-2)14-17-8-6-7-16(11-17)12-20-23-13-15(3)21-18(23)19/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H2,19,21)
InChIKeyRGXJDMIJAPFALD-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.28
Rot. Bonds8

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

1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629127) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629127
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCCCN(CCC)Cc1cccc(C=Nn2cc(C)nc2N)c1
InChIInChI=1S/C18H27N5/c1-4-9-22(10-5-2)14-17-8-6-7-16(11-17)12-20-23-13-15(3)21-18(23)19/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H2,19,21)
InChIKeyRGXJDMIJAPFALD-UHFFFAOYSA-N
XLogP3.28
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.28
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-[(dibutylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629107
4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine
CID 168629171
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine
CID 168628572
4-methyl-1-[(3-thiophen-2-ylphenyl)methylideneamino]imidazol-2-amine
CID 168629485
4-[[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]methyl]benzonitrile
CID 168629174
1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629559
1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628993
[1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol
CID 168630764
1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629415
4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628935
1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630643
1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630092

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168629127) is 1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine is CCCN(CCC)Cc1cccc(C=Nn2cc(C)nc2N)c1.
What is the InChIKey of 1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is RGXJDMIJAPFALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-4-9-22(10-5-2)14-17-8-6-7-16(11-17)12-20-23-13-15(3)21-18(23)19/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H2,19,21).
What are the key properties of 1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 313.45 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(dipropylamino)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).