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

C20H23N3 — CID 146644167

IUPACN,N-dibenzyl-N'-ethenyl-2-(methylamino)prop-2-enimidamide
SMILESC=C/N=C(\C(=C)NC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H23N3/c1-4-22-20(17(2)21-3)23(15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h4-14,21H,1-2,15-16H2,3H3/b22-20+
InChIKeyYLUJYKWFHVKXFC-LSDHQDQOSA-N
MW305.43 g/mol
LogP3.96
Rot. Bonds7

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

N,N-dibenzyl-N'-ethenyl-2-(methylamino)prop-2-enimidamide (PubChem CID 146644167) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is N,N-dibenzyl-N'-ethenyl-2-(methylamino)prop-2-enimidamide.

Molecular Properties

Compound NameN,N-dibenzyl-N'-ethenyl-2-(methylamino)prop-2-enimidamide
PubChem CID146644167
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC NameN,N-dibenzyl-N'-ethenyl-2-(methylamino)prop-2-enimidamide
SMILESC=C/N=C(\C(=C)NC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H23N3/c1-4-22-20(17(2)21-3)23(15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h4-14,21H,1-2,15-16H2,3H3/b22-20+
InChIKeyYLUJYKWFHVKXFC-LSDHQDQOSA-N
XLogP3.96
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide
CID 170406769
N,N-dibenzyl-2-(methylamino)prop-2-enimidamide
CID 146643292
1-benzyl-1-ethyl-2,3-dimethylguanidine
CID 130785557
CID 101349022
CID 101349022
1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea
CID 108911414
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
ethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate
CID 164518528
ethyl 2-(dibenzylamino)-2-(methylhydrazinylidene)acetate
CID 155703390
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
CID 101349021
CID 101349021
N-benzyl-N-prop-2-enylcarbamodithioate
CID 171600521
N,N-dibenzylbut-3-enamide
CID 134848345

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-N'-ethenyl-2-(methylamino)prop-2-enimidamide?
The IUPAC name of N,N-dibenzyl-N'-ethenyl-2-(methylamino)prop-2-enimidamide (CID 146644167) is N,N-dibenzyl-N'-ethenyl-2-(methylamino)prop-2-enimidamide.
What is the SMILES notation for N,N-dibenzyl-N'-ethenyl-2-(methylamino)prop-2-enimidamide?
The canonical SMILES for N,N-dibenzyl-N'-ethenyl-2-(methylamino)prop-2-enimidamide is C=C/N=C(\C(=C)NC)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-N'-ethenyl-2-(methylamino)prop-2-enimidamide?
The InChIKey is YLUJYKWFHVKXFC-LSDHQDQOSA-N. The full InChI is InChI=1S/C20H23N3/c1-4-22-20(17(2)21-3)23(15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h4-14,21H,1-2,15-16H2,3H3/b22-20+.
What are the key properties of N,N-dibenzyl-N'-ethenyl-2-(methylamino)prop-2-enimidamide?
N,N-dibenzyl-N'-ethenyl-2-(methylamino)prop-2-enimidamide has a molecular weight of 305.43 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-N'-ethenyl-2-(methylamino)prop-2-enimidamide is sourced from PubChem (CID 146644167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).