2-(oxan-4-ylmethoxy)propanimidamide

C9H18N2O2 — CID 62383007

IUPAC2-(oxan-4-ylmethoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)OCC1CCOCC1
InChIInChI=1S/C9H18N2O2/c1-7(9(10)11)13-6-8-2-4-12-5-3-8/h7-8H,2-6H2,1H3,(H3,10,11)
InChIKeyIGVRYFBZJWVRAI-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.75
Rot. Bonds4

About 2-(oxan-4-ylmethoxy)propanimidamide

2-(oxan-4-ylmethoxy)propanimidamide (PubChem CID 62383007) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(oxan-4-ylmethoxy)propanimidamide.

Molecular Properties

Compound Name2-(oxan-4-ylmethoxy)propanimidamide
PubChem CID62383007
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(oxan-4-ylmethoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)OCC1CCOCC1
InChIInChI=1S/C9H18N2O2/c1-7(9(10)11)13-6-8-2-4-12-5-3-8/h7-8H,2-6H2,1H3,(H3,10,11)
InChIKeyIGVRYFBZJWVRAI-UHFFFAOYSA-N
XLogP0.75
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(oxan-4-ylmethoxy)propanoic acid
CID 62384175
3-(oxan-4-ylmethoxy)butan-2-amine
CID 62382238
2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)pentanamide
CID 64721587
3-(cyclopropylmethoxy)-2-methylpropanimidamide
CID 43368806
2-(oxan-4-ylsulfanyl)propanimidamide
CID 62997159
2-methyl-3-(oxan-4-ylsulfanyl)propanimidamide
CID 62996983
5-(oxan-4-ylmethoxy)pentanimidamide
CID 62383195
2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid
CID 134207969
4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine
CID 62382952
2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol
CID 64811806
oxan-4-ylmethyl 2-sulfanylpropanoate
CID 107018736
2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide
CID 62382112

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethoxy)propanimidamide?
The IUPAC name of 2-(oxan-4-ylmethoxy)propanimidamide (CID 62383007) is 2-(oxan-4-ylmethoxy)propanimidamide.
What is the SMILES notation for 2-(oxan-4-ylmethoxy)propanimidamide?
The canonical SMILES for 2-(oxan-4-ylmethoxy)propanimidamide is [H]/N=C(\N)C(C)OCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethoxy)propanimidamide?
The InChIKey is IGVRYFBZJWVRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(9(10)11)13-6-8-2-4-12-5-3-8/h7-8H,2-6H2,1H3,(H3,10,11).
What are the key properties of 2-(oxan-4-ylmethoxy)propanimidamide?
2-(oxan-4-ylmethoxy)propanimidamide has a molecular weight of 186.25 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethoxy)propanimidamide is sourced from PubChem (CID 62383007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).