3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide

C8H19N3O3 — CID 77065010

IUPAC3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC(CO)CO
InChIInChI=1S/C8H19N3O3/c1-2-6(3-8(9)11-14)10-7(4-12)5-13/h6-7,10,12-14H,2-5H2,1H3,(H2,9,11)
InChIKeyMMLFOCMLCUUKOI-UHFFFAOYSA-N
MW205.26 g/mol
LogP-1.16
Rot. Bonds7

About 3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide

3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide (PubChem CID 77065010) has the molecular formula C8H19N3O3 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide
PubChem CID77065010
Molecular FormulaC8H19N3O3
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Name3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC(CO)CO
InChIInChI=1S/C8H19N3O3/c1-2-6(3-8(9)11-14)10-7(4-12)5-13/h6-7,10,12-14H,2-5H2,1H3,(H2,9,11)
InChIKeyMMLFOCMLCUUKOI-UHFFFAOYSA-N
XLogP-1.16
TPSA111.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 55
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

N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide
CID 106189726
N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide
CID 79250546
3-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026652
3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide
CID 82938574
N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
CID 77029003
3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77032461
2-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxybutanimidamide
CID 77065013
3-(cyclopropylamino)-N'-hydroxypentanimidamide
CID 77026260
3-(but-2-ynylamino)-N'-hydroxypentanimidamide
CID 104861152
N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide
CID 77026270
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]pentanimidamide
CID 77112816
3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77028742

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide (CID 77065010) is 3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NC(CO)CO.
What is the InChIKey of 3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide?
The InChIKey is MMLFOCMLCUUKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3/c1-2-6(3-8(9)11-14)10-7(4-12)5-13/h6-7,10,12-14H,2-5H2,1H3,(H2,9,11).
What are the key properties of 3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide?
3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide has a molecular weight of 205.26 g/mol, XLogP of -1.16, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77065010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).