3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide

C10H23N3O2 — CID 77032461

IUPAC3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide
SMILESCCOCC(C)NC(CC)CC(N)=NO
InChIInChI=1S/C10H23N3O2/c1-4-9(6-10(11)13-14)12-8(3)7-15-5-2/h8-9,12,14H,4-7H2,1-3H3,(H2,11,13)
InChIKeyXWDDDCAYUWAYBG-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.92
Rot. Bonds8

About 3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide

3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide (PubChem CID 77032461) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide
PubChem CID77032461
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide
SMILESCCOCC(C)NC(CC)CC(N)=NO
InChIInChI=1S/C10H23N3O2/c1-4-9(6-10(11)13-14)12-8(3)7-15-5-2/h8-9,12,14H,4-7H2,1-3H3,(H2,11,13)
InChIKeyXWDDDCAYUWAYBG-UHFFFAOYSA-N
XLogP0.92
TPSA79.87 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 ≤ 50.92
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 3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide (CID 77032461) is 3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide is CCOCC(C)NC(CC)CC(N)=NO.
What is the InChIKey of 3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide?
The InChIKey is XWDDDCAYUWAYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-4-9(6-10(11)13-14)12-8(3)7-15-5-2/h8-9,12,14H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of 3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide?
3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77032461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).