1-methanidyloxypropane

C4H9O- — CID 22980635

IUPAC1-methanidyloxypropane
SMILES[CH2-]OCCC
InChIInChI=1S/C4H9O/c1-3-4-5-2/h2-4H2,1H3/q-1
InChIKeyKMDVOIKIAAPCDN-UHFFFAOYSA-N
MW73.11 g/mol
LogP1.20
Rot. Bonds2

About 1-methanidyloxypropane

1-methanidyloxypropane (PubChem CID 22980635) has the molecular formula C4H9O- and a molecular weight of 73.11 g/mol. Its IUPAC name is 1-methanidyloxypropane.

Molecular Properties

Compound Name1-methanidyloxypropane
PubChem CID22980635
Molecular FormulaC4H9O-
Molecular Weight73.11 g/mol
Exact Mass73.07
IUPAC Name1-methanidyloxypropane
SMILES[CH2-]OCCC
InChIInChI=1S/C4H9O/c1-3-4-5-2/h2-4H2,1H3/q-1
InChIKeyKMDVOIKIAAPCDN-UHFFFAOYSA-N
XLogP1.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.11
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methanidyloxypropane?
The IUPAC name of 1-methanidyloxypropane (CID 22980635) is 1-methanidyloxypropane.
What is the SMILES notation for 1-methanidyloxypropane?
The canonical SMILES for 1-methanidyloxypropane is [CH2-]OCCC.
What is the InChIKey of 1-methanidyloxypropane?
The InChIKey is KMDVOIKIAAPCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O/c1-3-4-5-2/h2-4H2,1H3/q-1.
What are the key properties of 1-methanidyloxypropane?
1-methanidyloxypropane has a molecular weight of 73.11 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyloxypropane is sourced from PubChem (CID 22980635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).