N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide

C10H23N3O2 — CID 76911093

IUPACN'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide
SMILESCC(C)N(CCCO)CCCC(N)=NO
InChIInChI=1S/C10H23N3O2/c1-9(2)13(7-4-8-14)6-3-5-10(11)12-15/h9,14-15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyVTPNUSBUFDYBNL-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.61
Rot. Bonds8

About N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide

N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide (PubChem CID 76911093) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide
PubChem CID76911093
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide
SMILESCC(C)N(CCCO)CCCC(N)=NO
InChIInChI=1S/C10H23N3O2/c1-9(2)13(7-4-8-14)6-3-5-10(11)12-15/h9,14-15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyVTPNUSBUFDYBNL-UHFFFAOYSA-N
XLogP0.61
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.61
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

N'-hydroxy-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 76912547
7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081
N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide
CID 54998200
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide
CID 103409985
N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide
CID 54998197
3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide
CID 103369340
3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol
CID 166090876
N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide
CID 104869240
3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol
CID 175071947
4-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylbutanethioamide
CID 65248852
N'-hydroxy-4-[methyl(2-methylbutyl)amino]butanimidamide
CID 43295873

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide (CID 76911093) is N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide is CC(C)N(CCCO)CCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide?
The InChIKey is VTPNUSBUFDYBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-9(2)13(7-4-8-14)6-3-5-10(11)12-15/h9,14-15H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide?
N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide is sourced from PubChem (CID 76911093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).