5-(oxan-4-ylmethoxy)pentanimidamide

C11H22N2O2 — CID 62383195

IUPAC5-(oxan-4-ylmethoxy)pentanimidamide
SMILES[H]/N=C(\N)CCCCOCC1CCOCC1
InChIInChI=1S/C11H22N2O2/c12-11(13)3-1-2-6-15-9-10-4-7-14-8-5-10/h10H,1-9H2,(H3,12,13)
InChIKeyZHRGYZUSTJRNIH-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.54
Rot. Bonds7

About 5-(oxan-4-ylmethoxy)pentanimidamide

5-(oxan-4-ylmethoxy)pentanimidamide (PubChem CID 62383195) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-(oxan-4-ylmethoxy)pentanimidamide.

Molecular Properties

Compound Name5-(oxan-4-ylmethoxy)pentanimidamide
PubChem CID62383195
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name5-(oxan-4-ylmethoxy)pentanimidamide
SMILES[H]/N=C(\N)CCCCOCC1CCOCC1
InChIInChI=1S/C11H22N2O2/c12-11(13)3-1-2-6-15-9-10-4-7-14-8-5-10/h10H,1-9H2,(H3,12,13)
InChIKeyZHRGYZUSTJRNIH-UHFFFAOYSA-N
XLogP1.54
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.54
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'}

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Related Compounds

6-(oxan-4-ylmethoxy)hexan-2-one
CID 62382275
5-(oxan-4-ylsulfanyl)pentanimidamide
CID 62997331
4-(5-chloropentoxymethyl)oxane
CID 62382987
6-(oxan-4-ylmethoxy)hexan-2-amine
CID 62382428
2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64811178
8-[2-(oxan-4-yl)ethoxy]octanamide
CID 175975617
2-(oxan-4-ylmethoxy)propanimidamide
CID 62383007
4-hexoxybutanimidamide
CID 29003057
N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine
CID 62584968
octadecanediimidamide;dihydrochloride
CID 24741615
2-(oxan-4-ylmethoxy)benzenecarboximidamide
CID 62381525
oxan-4-ylmethyl carbamate
CID 134587773

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-ylmethoxy)pentanimidamide?
The IUPAC name of 5-(oxan-4-ylmethoxy)pentanimidamide (CID 62383195) is 5-(oxan-4-ylmethoxy)pentanimidamide.
What is the SMILES notation for 5-(oxan-4-ylmethoxy)pentanimidamide?
The canonical SMILES for 5-(oxan-4-ylmethoxy)pentanimidamide is [H]/N=C(\N)CCCCOCC1CCOCC1.
What is the InChIKey of 5-(oxan-4-ylmethoxy)pentanimidamide?
The InChIKey is ZHRGYZUSTJRNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c12-11(13)3-1-2-6-15-9-10-4-7-14-8-5-10/h10H,1-9H2,(H3,12,13).
What are the key properties of 5-(oxan-4-ylmethoxy)pentanimidamide?
5-(oxan-4-ylmethoxy)pentanimidamide has a molecular weight of 214.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-ylmethoxy)pentanimidamide is sourced from PubChem (CID 62383195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).