N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide

C9H21N3O3 — CID 77030890

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

About N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide

N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide (PubChem CID 77030890) has the molecular formula C9H21N3O3 and a molecular weight of 219.28 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
PubChem CID77030890
Molecular FormulaC9H21N3O3
Molecular Weight219.28 g/mol
Exact Mass219.16
IUPAC NameN'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)NCC(O)COC
InChIInChI=1S/C9H21N3O3/c1-3-7(4-9(10)12-14)11-5-8(13)6-15-2/h7-8,11,13-14H,3-6H2,1-2H3,(H2,10,12)
InChIKeyZLGXVDYDNSOTED-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

N'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide
CID 77030893
N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide
CID 106189726
1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 106989003
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]pentanimidamide
CID 77112816
3-(but-2-ynylamino)-N'-hydroxypentanimidamide
CID 104861152
N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide
CID 77026270
3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77028742
N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
CID 77029003
3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77032461
3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide
CID 106277761
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide
CID 55208859
1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989797

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide (CID 77030890) is N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide is CCC(CC(N)=NO)NCC(O)COC.
What is the InChIKey of N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide?
The InChIKey is ZLGXVDYDNSOTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3/c1-3-7(4-9(10)12-14)11-5-8(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-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide?
N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)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-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide is sourced from PubChem (CID 77030890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).