4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine

C11H20N2O — CID 123338679

IUPAC4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine
SMILESC=CCN(CC=C)C1COCC1NC
InChIInChI=1S/C11H20N2O/c1-4-6-13(7-5-2)11-9-14-8-10(11)12-3/h4-5,10-12H,1-2,6-9H2,3H3
InChIKeyYYXKWSXKGUYHOH-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.65
Rot. Bonds6

About 4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine

4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine (PubChem CID 123338679) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine
PubChem CID123338679
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine
SMILESC=CCN(CC=C)C1COCC1NC
InChIInChI=1S/C11H20N2O/c1-4-6-13(7-5-2)11-9-14-8-10(11)12-3/h4-5,10-12H,1-2,6-9H2,3H3
InChIKeyYYXKWSXKGUYHOH-UHFFFAOYSA-N
XLogP0.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine?
The IUPAC name of 4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine (CID 123338679) is 4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine.
What is the SMILES notation for 4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine?
The canonical SMILES for 4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine is C=CCN(CC=C)C1COCC1NC.
What is the InChIKey of 4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine?
The InChIKey is YYXKWSXKGUYHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-6-13(7-5-2)11-9-14-8-10(11)12-3/h4-5,10-12H,1-2,6-9H2,3H3.
What are the key properties of 4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine?
4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine has a molecular weight of 196.29 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine is sourced from PubChem (CID 123338679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).