N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide

C9H21N3O3 — CID 106189726

IUPACN'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)NC(CO)COC
InChIInChI=1S/C9H21N3O3/c1-3-7(4-9(10)12-14)11-8(5-13)6-15-2/h7-8,11,13-14H,3-6H2,1-2H3,(H2,10,12)
InChIKeyBOMUEFQPCOOMCQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.50
Rot. Bonds8

About N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide

N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide (PubChem CID 106189726) has the molecular formula C9H21N3O3 and a molecular weight of 219.28 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide
PubChem CID106189726
Molecular FormulaC9H21N3O3
Molecular Weight219.28 g/mol
Exact Mass219.16
IUPAC NameN'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)NC(CO)COC
InChIInChI=1S/C9H21N3O3/c1-3-7(4-9(10)12-14)11-8(5-13)6-15-2/h7-8,11,13-14H,3-6H2,1-2H3,(H2,10,12)
InChIKeyBOMUEFQPCOOMCQ-UHFFFAOYSA-N
XLogP-0.50
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77065010
N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide
CID 79250546
N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
CID 77030890
3-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026652
N'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide
CID 106189728
3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77032461
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide
CID 55208859
3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide
CID 82938574
methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate
CID 106187566
N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
CID 77029003
(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 130685651
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]butanoic acid
CID 106187891

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide (CID 106189726) is N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide is CCC(CC(N)=NO)NC(CO)COC.
What is the InChIKey of N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide?
The InChIKey is BOMUEFQPCOOMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3/c1-3-7(4-9(10)12-14)11-8(5-13)6-15-2/h7-8,11,13-14H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide?
N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide has a molecular weight of 219.28 g/mol, XLogP of -0.50, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide is sourced from PubChem (CID 106189726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).