N'-(oxan-3-ylmethyl)butanimidamide

C10H20N2O — CID 63176773

IUPACN'-(oxan-3-ylmethyl)butanimidamide
SMILESCCC/C(N)=N\CC1CCCOC1
InChIInChI=1S/C10H20N2O/c1-2-4-10(11)12-7-9-5-3-6-13-8-9/h9H,2-8H2,1H3,(H2,11,12)
InChIKeyCBWYVSVEJKGZFZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.57
Rot. Bonds4

About N'-(oxan-3-ylmethyl)butanimidamide

N'-(oxan-3-ylmethyl)butanimidamide (PubChem CID 63176773) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N'-(oxan-3-ylmethyl)butanimidamide.

Molecular Properties

Compound NameN'-(oxan-3-ylmethyl)butanimidamide
PubChem CID63176773
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN'-(oxan-3-ylmethyl)butanimidamide
SMILESCCC/C(N)=N\CC1CCCOC1
InChIInChI=1S/C10H20N2O/c1-2-4-10(11)12-7-9-5-3-6-13-8-9/h9H,2-8H2,1H3,(H2,11,12)
InChIKeyCBWYVSVEJKGZFZ-UHFFFAOYSA-N
XLogP1.57
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(oxan-3-ylmethyl)butanimidamide?
The IUPAC name of N'-(oxan-3-ylmethyl)butanimidamide (CID 63176773) is N'-(oxan-3-ylmethyl)butanimidamide.
What is the SMILES notation for N'-(oxan-3-ylmethyl)butanimidamide?
The canonical SMILES for N'-(oxan-3-ylmethyl)butanimidamide is CCC/C(N)=N\CC1CCCOC1.
What is the InChIKey of N'-(oxan-3-ylmethyl)butanimidamide?
The InChIKey is CBWYVSVEJKGZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-4-10(11)12-7-9-5-3-6-13-8-9/h9H,2-8H2,1H3,(H2,11,12).
What are the key properties of N'-(oxan-3-ylmethyl)butanimidamide?
N'-(oxan-3-ylmethyl)butanimidamide has a molecular weight of 184.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxan-3-ylmethyl)butanimidamide is sourced from PubChem (CID 63176773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).