3-heptoxy-N'-hydroxypropanimidamide

C10H22N2O2 — CID 43128360

IUPAC3-heptoxy-N'-hydroxypropanimidamide
SMILESCCCCCCCOCC/C(N)=N/O
InChIInChI=1S/C10H22N2O2/c1-2-3-4-5-6-8-14-9-7-10(11)12-13/h13H,2-9H2,1H3,(H2,11,12)
InChIKeyXQDBZNUFQWOMPX-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.11
Rot. Bonds9

About 3-heptoxy-N'-hydroxypropanimidamide

3-heptoxy-N'-hydroxypropanimidamide (PubChem CID 43128360) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-heptoxy-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-heptoxy-N'-hydroxypropanimidamide
PubChem CID43128360
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-heptoxy-N'-hydroxypropanimidamide
SMILESCCCCCCCOCC/C(N)=N/O
InChIInChI=1S/C10H22N2O2/c1-2-3-4-5-6-8-14-9-7-10(11)12-13/h13H,2-9H2,1H3,(H2,11,12)
InChIKeyXQDBZNUFQWOMPX-UHFFFAOYSA-N
XLogP2.11
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-butoxy-N'-hydroxypentanimidamide
CID 109374755
3-dodecoxypropanamide
CID 22235134
3-hexoxypropanethioamide
CID 29002450
3-dodecoxypropanamide;hydrobromide
CID 175357705
1-decoxydocosane
CID 87077677
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-dodecoxyhexadecane
CID 22256973

Frequently Asked Questions

What is the IUPAC name of 3-heptoxy-N'-hydroxypropanimidamide?
The IUPAC name of 3-heptoxy-N'-hydroxypropanimidamide (CID 43128360) is 3-heptoxy-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-heptoxy-N'-hydroxypropanimidamide?
The canonical SMILES for 3-heptoxy-N'-hydroxypropanimidamide is CCCCCCCOCC/C(N)=N/O.
What is the InChIKey of 3-heptoxy-N'-hydroxypropanimidamide?
The InChIKey is XQDBZNUFQWOMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-2-3-4-5-6-8-14-9-7-10(11)12-13/h13H,2-9H2,1H3,(H2,11,12).
What are the key properties of 3-heptoxy-N'-hydroxypropanimidamide?
3-heptoxy-N'-hydroxypropanimidamide has a molecular weight of 202.30 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptoxy-N'-hydroxypropanimidamide is sourced from PubChem (CID 43128360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).