N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide

C8H19N3O2 — CID 77029003

IUPACN'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
SMILESCCC(CC(N)=NO)NCCCO
InChIInChI=1S/C8H19N3O2/c1-2-7(6-8(9)11-13)10-4-3-5-12/h7,10,12-13H,2-6H2,1H3,(H2,9,11)
InChIKeyNYHLUNXBZNDQDT-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.13
Rot. Bonds7

About N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide

N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide (PubChem CID 77029003) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
PubChem CID77029003
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC NameN'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
SMILESCCC(CC(N)=NO)NCCCO
InChIInChI=1S/C8H19N3O2/c1-2-7(6-8(9)11-13)10-4-3-5-12/h7,10,12-13H,2-6H2,1H3,(H2,9,11)
InChIKeyNYHLUNXBZNDQDT-UHFFFAOYSA-N
XLogP-0.13
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
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'}

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Related Compounds

3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide
CID 77029774
N'-hydroxy-3-(3-methylsulfanylpropylamino)pentanimidamide
CID 77029932
N'-hydroxy-3-(5-methylhexylamino)pentanimidamide
CID 115325880
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide
CID 106034084
N'-hydroxy-3-(7-methyloctylamino)pentanimidamide
CID 114004141
3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77028742
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]pentanimidamide
CID 77112816
N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide
CID 77025369
N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide
CID 77026159
3-(but-2-ynylamino)-N'-hydroxypentanimidamide
CID 104861152
N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide
CID 77026270
3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77065010

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide (CID 77029003) is N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide is CCC(CC(N)=NO)NCCCO.
What is the InChIKey of N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide?
The InChIKey is NYHLUNXBZNDQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-2-7(6-8(9)11-13)10-4-3-5-12/h7,10,12-13H,2-6H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide?
N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide has a molecular weight of 189.26 g/mol, XLogP of -0.13, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide is sourced from PubChem (CID 77029003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).