2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide

C13H22N4O — CID 77025961

IUPAC2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide
SMILESCN(CCCNCC(N)=NO)Cc1ccccc1
InChIInChI=1S/C13H22N4O/c1-17(11-12-6-3-2-4-7-12)9-5-8-15-10-13(14)16-18/h2-4,6-7,15,18H,5,8-11H2,1H3,(H2,14,16)
InChIKeyGFNROSBBASMQHL-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.84
Rot. Bonds8

About 2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide

2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide (PubChem CID 77025961) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide
PubChem CID77025961
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide
SMILESCN(CCCNCC(N)=NO)Cc1ccccc1
InChIInChI=1S/C13H22N4O/c1-17(11-12-6-3-2-4-7-12)9-5-8-15-10-13(14)16-18/h2-4,6-7,15,18H,5,8-11H2,1H3,(H2,14,16)
InChIKeyGFNROSBBASMQHL-UHFFFAOYSA-N
XLogP0.84
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide 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-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide
CID 28577544
tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate
CID 60680973
2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone
CID 28577546
2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide
CID 28577554
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
N'-benzyl-N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]propane-1,3-diamine
CID 66398289
(Z)-4-[3-[benzyl(methyl)amino]propylamino]-2-methylbut-2-enoic acid
CID 103233458
4-[(4-bromophenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 61415732
3-[2-[benzyl(methyl)amino]ethylamino]propanamide
CID 130877851

Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide (CID 77025961) is 2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide is CN(CCCNCC(N)=NO)Cc1ccccc1.
What is the InChIKey of 2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide?
The InChIKey is GFNROSBBASMQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17(11-12-6-3-2-4-7-12)9-5-8-15-10-13(14)16-18/h2-4,6-7,15,18H,5,8-11H2,1H3,(H2,14,16).
What are the key properties of 2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide?
2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide has a molecular weight of 250.35 g/mol, XLogP of 0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77025961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).