N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide

C8H19N3O2 — CID 76940008

IUPACN'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide
SMILESCCC(C(N)=NO)N(C)CC(C)O
InChIInChI=1S/C8H19N3O2/c1-4-7(8(9)10-13)11(3)5-6(2)12/h6-7,12-13H,4-5H2,1-3H3,(H2,9,10)
InChIKeyZSRCFFSMWCTRTM-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.18
Rot. Bonds5

About N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide

N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide (PubChem CID 76940008) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide
PubChem CID76940008
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC NameN'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide
SMILESCCC(C(N)=NO)N(C)CC(C)O
InChIInChI=1S/C8H19N3O2/c1-4-7(8(9)10-13)11(3)5-6(2)12/h6-7,12-13H,4-5H2,1-3H3,(H2,9,10)
InChIKeyZSRCFFSMWCTRTM-UHFFFAOYSA-N
XLogP-0.18
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 107480149
N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 107480175
N'-hydroxy-3-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide
CID 54994609
N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide
CID 54994610
N'-hydroxy-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanimidamide
CID 55005370
N'-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanimidamide
CID 60960897
N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide
CID 60961041
N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide
CID 60961042
4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 60979840
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 60979982
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 60980113
3-[Bis(2-hydroxyethyl)amino]butanimidamide
CID 61233759

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide (CID 76940008) is N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide is CCC(C(N)=NO)N(C)CC(C)O.
What is the InChIKey of N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide?
The InChIKey is ZSRCFFSMWCTRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-4-7(8(9)10-13)11(3)5-6(2)12/h6-7,12-13H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide?
N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide has a molecular weight of 189.26 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide is sourced from PubChem (CID 76940008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).