N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide

C9H21N3O3 — CID 77030580

IUPACN'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
SMILESCOCC(O)CNCCCCC(N)=NO
InChIInChI=1S/C9H21N3O3/c1-15-7-8(13)6-11-5-3-2-4-9(10)12-14/h8,11,13-14H,2-7H2,1H3,(H2,10,12)
InChIKeyPOVDKFLVYQBFRQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.50
Rot. Bonds9

About N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide

N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide (PubChem CID 77030580) has the molecular formula C9H21N3O3 and a molecular weight of 219.28 g/mol. Its IUPAC name is N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
PubChem CID77030580
Molecular FormulaC9H21N3O3
Molecular Weight219.28 g/mol
Exact Mass219.16
IUPAC NameN'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
SMILESCOCC(O)CNCCCCC(N)=NO
InChIInChI=1S/C9H21N3O3/c1-15-7-8(13)6-11-5-3-2-4-9(10)12-14/h8,11,13-14H,2-7H2,1H3,(H2,10,12)
InChIKeyPOVDKFLVYQBFRQ-UHFFFAOYSA-N
XLogP-0.50
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
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': '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

N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide
CID 104867252
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
N'-hydroxy-5-(2-methylbutylamino)pentanimidamide
CID 77027184
1-methoxy-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010384
4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid
CID 63930297
5-(3-ethoxypropylamino)-N'-hydroxypentanimidamide
CID 77025981
5-(2-ethoxyethylamino)-N'-hydroxypentanimidamide
CID 77027141
4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide
CID 106287042
1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol
CID 103931685
N'-hydroxy-3-(2-hydroxypentylamino)propanimidamide
CID 104867256
5-(2-butoxyethylamino)-N'-hydroxypentanimidamide
CID 77030771
N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide
CID 77036734

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide (CID 77030580) is N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide is COCC(O)CNCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide?
The InChIKey is POVDKFLVYQBFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3/c1-15-7-8(13)6-11-5-3-2-4-9(10)12-14/h8,11,13-14H,2-7H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide?
N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide has a molecular weight of 219.28 g/mol, XLogP of -0.50, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide is sourced from PubChem (CID 77030580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).