N'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride

C24H28ClN3 — CID 25231828

IUPACN'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride
SMILESC/C(N)=N\Cc1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1.Cl
InChIInChI=1S/C24H27N3.ClH/c1-20(25)26-16-23-13-8-14-24(15-23)19-27(17-21-9-4-2-5-10-21)18-22-11-6-3-7-12-22;/h2-15H,16-19H2,1H3,(H2,25,26);1H
InChIKeyNXSSBQTZYGKKMP-UHFFFAOYSA-N
MW393.96 g/mol
LogP5.19
Rot. Bonds8

About N'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride

N'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride (PubChem CID 25231828) has the molecular formula C24H28ClN3 and a molecular weight of 393.96 g/mol. Its IUPAC name is N'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride
PubChem CID25231828
Molecular FormulaC24H28ClN3
Molecular Weight393.96 g/mol
Exact Mass393.20
IUPAC NameN'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride
SMILESC/C(N)=N\Cc1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1.Cl
InChIInChI=1S/C24H27N3.ClH/c1-20(25)26-16-23-13-8-14-24(15-23)19-27(17-21-9-4-2-5-10-21)18-22-11-6-3-7-12-22;/h2-15H,16-19H2,1H3,(H2,25,26);1H
InChIKeyNXSSBQTZYGKKMP-UHFFFAOYSA-N
XLogP5.19
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.96
LogP ≤ 55.19
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'}

Analyze N'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride 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

[3-[(dibenzylamino)methyl]phenyl]methanamine
CID 39147916
4-[[3-[(1-aminoethylideneamino)methyl]phenyl]methylamino]-4-oxobutanoic acid
CID 122180674
N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine
CID 163873740
2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111051054
N'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide
CID 25231665
N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111051112
N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine
CID 89334206
2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111051075
2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111051065
2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110915389
N-[1-[benzyl(2-hydroxyiminopropyl)amino]propan-2-ylidene]hydroxylamine
CID 71426108
(NZ)-N-[1-[benzyl-[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine
CID 134858396

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride?
The IUPAC name of N'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride (CID 25231828) is N'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride.
What is the SMILES notation for N'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride?
The canonical SMILES for N'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride is C/C(N)=N\Cc1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1.Cl.
What is the InChIKey of N'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride?
The InChIKey is NXSSBQTZYGKKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3.ClH/c1-20(25)26-16-23-13-8-14-24(15-23)19-27(17-21-9-4-2-5-10-21)18-22-11-6-3-7-12-22;/h2-15H,16-19H2,1H3,(H2,25,26);1H.
What are the key properties of N'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride?
N'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[(dibenzylamino)methyl]phenyl]methyl]ethanimidamide;hydrochloride is sourced from PubChem (CID 25231828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).