N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide

C10H24N4O — CID 106034016

IUPACN'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
SMILESCC(C)N(C)CCCNCCC(N)=NO
InChIInChI=1S/C10H24N4O/c1-9(2)14(3)8-4-6-12-7-5-10(11)13-15/h9,12,15H,4-8H2,1-3H3,(H2,11,13)
InChIKeyCLCGPCIQVPLSKU-UHFFFAOYSA-N
MW216.33 g/mol
LogP0.44
Rot. Bonds8

About N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide

N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide (PubChem CID 106034016) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
PubChem CID106034016
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC NameN'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
SMILESCC(C)N(C)CCCNCCC(N)=NO
InChIInChI=1S/C10H24N4O/c1-9(2)14(3)8-4-6-12-7-5-10(11)13-15/h9,12,15H,4-8H2,1-3H3,(H2,11,13)
InChIKeyCLCGPCIQVPLSKU-UHFFFAOYSA-N
XLogP0.44
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 50.44
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 N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide 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

4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide
CID 106034042
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
CID 106045730
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide
CID 106034084
N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034085
2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide
CID 106044314
N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide
CID 77030327
2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol
CID 106045693
N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 138492017
N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
CID 176860876
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide (CID 106034016) is N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide is CC(C)N(C)CCCNCCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide?
The InChIKey is CLCGPCIQVPLSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c1-9(2)14(3)8-4-6-12-7-5-10(11)13-15/h9,12,15H,4-8H2,1-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide?
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide has a molecular weight of 216.33 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide is sourced from PubChem (CID 106034016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).