3-(1-methoxycyclobutyl)propanimidamide

C8H16N2O — CID 131219677

IUPAC3-(1-methoxycyclobutyl)propanimidamide
SMILES[H]/N=C(\N)CCC1(OC)CCC1
InChIInChI=1S/C8H16N2O/c1-11-8(4-2-5-8)6-3-7(9)10/h2-6H2,1H3,(H3,9,10)
InChIKeyAJBQNQRAGAJLJX-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.27
Rot. Bonds4

About 3-(1-methoxycyclobutyl)propanimidamide

3-(1-methoxycyclobutyl)propanimidamide (PubChem CID 131219677) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(1-methoxycyclobutyl)propanimidamide.

Molecular Properties

Compound Name3-(1-methoxycyclobutyl)propanimidamide
PubChem CID131219677
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(1-methoxycyclobutyl)propanimidamide
SMILES[H]/N=C(\N)CCC1(OC)CCC1
InChIInChI=1S/C8H16N2O/c1-11-8(4-2-5-8)6-3-7(9)10/h2-6H2,1H3,(H3,9,10)
InChIKeyAJBQNQRAGAJLJX-UHFFFAOYSA-N
XLogP1.27
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
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 3-(1-methoxycyclobutyl)propanimidamide?
The IUPAC name of 3-(1-methoxycyclobutyl)propanimidamide (CID 131219677) is 3-(1-methoxycyclobutyl)propanimidamide.
What is the SMILES notation for 3-(1-methoxycyclobutyl)propanimidamide?
The canonical SMILES for 3-(1-methoxycyclobutyl)propanimidamide is [H]/N=C(\N)CCC1(OC)CCC1.
What is the InChIKey of 3-(1-methoxycyclobutyl)propanimidamide?
The InChIKey is AJBQNQRAGAJLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-11-8(4-2-5-8)6-3-7(9)10/h2-6H2,1H3,(H3,9,10).
What are the key properties of 3-(1-methoxycyclobutyl)propanimidamide?
3-(1-methoxycyclobutyl)propanimidamide has a molecular weight of 156.23 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycyclobutyl)propanimidamide is sourced from PubChem (CID 131219677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).