N,N-dibenzyl-2-(methylamino)prop-2-enimidamide

C18H21N3 — CID 146643292

IUPACN,N-dibenzyl-2-(methylamino)prop-2-enimidamide
SMILES[H]/N=C(\C(=C)NC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21N3/c1-15(20-2)18(19)21(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,19-20H,1,13-14H2,2H3/b19-18+
InChIKeyHIOREONNGWTALH-VHEBQXMUSA-N
MW279.39 g/mol
LogP3.40
Rot. Bonds6

About N,N-dibenzyl-2-(methylamino)prop-2-enimidamide

N,N-dibenzyl-2-(methylamino)prop-2-enimidamide (PubChem CID 146643292) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N,N-dibenzyl-2-(methylamino)prop-2-enimidamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(methylamino)prop-2-enimidamide
PubChem CID146643292
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN,N-dibenzyl-2-(methylamino)prop-2-enimidamide
SMILES[H]/N=C(\C(=C)NC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21N3/c1-15(20-2)18(19)21(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,19-20H,1,13-14H2,2H3/b19-18+
InChIKeyHIOREONNGWTALH-VHEBQXMUSA-N
XLogP3.40
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N-dibenzyl-2-(methylamino)prop-2-enimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-ethyl-2-methylpropanimidamide
CID 63175573
N,N-dibenzyl-N'-ethenyl-2-(methylamino)prop-2-enimidamide
CID 146644167
1,1-dibenzylguanidine
CID 9487
N-benzyl-N-ethylbutanimidamide
CID 63175572
N-benzyl-2-methyl-N-propylpropanimidamide
CID 130949463
1-benzyl-1-ethyl-2,3-dimethylguanidine
CID 130785557
CID 101349022
CID 101349022
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N,N-dibenzylcyclopropanecarboximidamide
CID 63175386
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
CID 101349021
CID 101349021
bis(N,N-dibenzylcarbamodithioate);zinc
CID 4641127

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(methylamino)prop-2-enimidamide?
The IUPAC name of N,N-dibenzyl-2-(methylamino)prop-2-enimidamide (CID 146643292) is N,N-dibenzyl-2-(methylamino)prop-2-enimidamide.
What is the SMILES notation for N,N-dibenzyl-2-(methylamino)prop-2-enimidamide?
The canonical SMILES for N,N-dibenzyl-2-(methylamino)prop-2-enimidamide is [H]/N=C(\C(=C)NC)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-(methylamino)prop-2-enimidamide?
The InChIKey is HIOREONNGWTALH-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H21N3/c1-15(20-2)18(19)21(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,19-20H,1,13-14H2,2H3/b19-18+.
What are the key properties of N,N-dibenzyl-2-(methylamino)prop-2-enimidamide?
N,N-dibenzyl-2-(methylamino)prop-2-enimidamide has a molecular weight of 279.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(methylamino)prop-2-enimidamide is sourced from PubChem (CID 146643292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).