4-hexoxybutanimidamide

C10H22N2O — CID 29003057

IUPAC4-hexoxybutanimidamide
SMILES[H]/N=C(\N)CCCOCCCCCC
InChIInChI=1S/C10H22N2O/c1-2-3-4-5-8-13-9-6-7-10(11)12/h2-9H2,1H3,(H3,11,12)
InChIKeyHFVKHXTYHHLSJH-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.30
Rot. Bonds9

About 4-hexoxybutanimidamide

4-hexoxybutanimidamide (PubChem CID 29003057) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-hexoxybutanimidamide.

Molecular Properties

Compound Name4-hexoxybutanimidamide
PubChem CID29003057
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-hexoxybutanimidamide
SMILES[H]/N=C(\N)CCCOCCCCCC
InChIInChI=1S/C10H22N2O/c1-2-3-4-5-8-13-9-6-7-10(11)12/h2-9H2,1H3,(H3,11,12)
InChIKeyHFVKHXTYHHLSJH-UHFFFAOYSA-N
XLogP2.30
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

3-[2-(2-butoxyethoxy)ethoxy]propanimidamide
CID 104563635
4-(3-methylbutoxy)butanimidamide
CID 24706267
formic acid;octadecanimidamide
CID 160757976
3-dodecoxypropanamide;hydrobromide
CID 175357705
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156

Frequently Asked Questions

What is the IUPAC name of 4-hexoxybutanimidamide?
The IUPAC name of 4-hexoxybutanimidamide (CID 29003057) is 4-hexoxybutanimidamide.
What is the SMILES notation for 4-hexoxybutanimidamide?
The canonical SMILES for 4-hexoxybutanimidamide is [H]/N=C(\N)CCCOCCCCCC.
What is the InChIKey of 4-hexoxybutanimidamide?
The InChIKey is HFVKHXTYHHLSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-3-4-5-8-13-9-6-7-10(11)12/h2-9H2,1H3,(H3,11,12).
What are the key properties of 4-hexoxybutanimidamide?
4-hexoxybutanimidamide has a molecular weight of 186.30 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxybutanimidamide is sourced from PubChem (CID 29003057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).