2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide

C9H21N7O3 — CID 142703992

IUPAC2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C(C)C(N)=NO)C(C)C(N)=NO
InChIInChI=1S/C9H21N7O3/c1-4(7(10)13-17)16(5(2)8(11)14-18)6(3)9(12)15-19/h4-6,17-19H,1-3H3,(H2,10,13)(H2,11,14)(H2,12,15)
InChIKeyBUZWGKURMHPCFF-UHFFFAOYSA-N
MW275.31 g/mol
LogP-1.31
Rot. Bonds6

About 2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide

2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide (PubChem CID 142703992) has the molecular formula C9H21N7O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide
PubChem CID142703992
Molecular FormulaC9H21N7O3
Molecular Weight275.31 g/mol
Exact Mass275.17
IUPAC Name2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C(C)C(N)=NO)C(C)C(N)=NO
InChIInChI=1S/C9H21N7O3/c1-4(7(10)13-17)16(5(2)8(11)14-18)6(3)9(12)15-19/h4-6,17-19H,1-3H3,(H2,10,13)(H2,11,14)(H2,12,15)
InChIKeyBUZWGKURMHPCFF-UHFFFAOYSA-N
XLogP-1.31
TPSA179.07 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.31
LogP ≤ 5-1.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide 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

(2-Amino-2-hydroxyiminoethyl)-triethylazanium
CID 657482
Dimethylaminopropionamidoxime
CID 76915189
N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76915306
2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 80693768
2-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 80694573
2-[2-fluoroethyl(methyl)amino]-N'-hydroxypropanimidamide
CID 80695874
2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide
CID 81106492
2-[4-(3-fluoropropyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 81106605
2-[3-fluoropropyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 81106610
3-[[(3E)-3-amino-3-hydroxyiminopropyl]-ethylamino]-N'-hydroxypropanimidamide
CID 57668577
3-[[(2E)-2-amino-2-hydroxyiminoethyl]-[(2Z)-2-amino-2-hydroxyiminoethyl]amino]-N'-hydroxypropanimidamide
CID 57672740
2-[[(2Z)-2-amino-2-hydroxyiminoethyl]-methylamino]-N'-hydroxyethanimidamide
CID 60119263

Frequently Asked Questions

What is the IUPAC name of 2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide (CID 142703992) is 2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(C(C)C(N)=NO)C(C)C(N)=NO.
What is the InChIKey of 2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide?
The InChIKey is BUZWGKURMHPCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N7O3/c1-4(7(10)13-17)16(5(2)8(11)14-18)6(3)9(12)15-19/h4-6,17-19H,1-3H3,(H2,10,13)(H2,11,14)(H2,12,15).
What are the key properties of 2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide?
2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide has a molecular weight of 275.31 g/mol, XLogP of -1.31, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1-amino-1-hydroxyiminopropan-2-yl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 142703992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).