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

C11H25N3O2 — CID 76911112

IUPACN'-hydroxy-3-[3-hydroxypropyl(propan-2-yl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)N(CCCO)C(C)C
InChIInChI=1S/C11H25N3O2/c1-4-10(8-11(12)13-16)14(9(2)3)6-5-7-15/h9-10,15-16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyHUDRSPFHYYZJRK-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.99
Rot. Bonds8

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

N'-hydroxy-3-[3-hydroxypropyl(propan-2-yl)amino]pentanimidamide (PubChem CID 76911112) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-hydroxy-3-[3-hydroxypropyl(propan-2-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-hydroxypropyl(propan-2-yl)amino]pentanimidamide
PubChem CID76911112
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC NameN'-hydroxy-3-[3-hydroxypropyl(propan-2-yl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)N(CCCO)C(C)C
InChIInChI=1S/C11H25N3O2/c1-4-10(8-11(12)13-16)14(9(2)3)6-5-7-15/h9-10,15-16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyHUDRSPFHYYZJRK-UHFFFAOYSA-N
XLogP0.99
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.99
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-hydroxypropyl(propan-2-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[3-hydroxypropyl(propan-2-yl)amino]pentanimidamide (CID 76911112) is N'-hydroxy-3-[3-hydroxypropyl(propan-2-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-hydroxypropyl(propan-2-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-hydroxypropyl(propan-2-yl)amino]pentanimidamide is CCC(CC(N)=NO)N(CCCO)C(C)C.
What is the InChIKey of N'-hydroxy-3-[3-hydroxypropyl(propan-2-yl)amino]pentanimidamide?
The InChIKey is HUDRSPFHYYZJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-4-10(8-11(12)13-16)14(9(2)3)6-5-7-15/h9-10,15-16H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[3-hydroxypropyl(propan-2-yl)amino]pentanimidamide?
N'-hydroxy-3-[3-hydroxypropyl(propan-2-yl)amino]pentanimidamide has a molecular weight of 231.34 g/mol, XLogP of 0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-hydroxypropyl(propan-2-yl)amino]pentanimidamide is sourced from PubChem (CID 76911112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).