5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine

C12H24N2O — CID 81101853

IUPAC5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine
SMILESC=CCN(CC=C)CC(N)CCCOC
InChIInChI=1S/C12H24N2O/c1-4-8-14(9-5-2)11-12(13)7-6-10-15-3/h4-5,12H,1-2,6-11,13H2,3H3
InChIKeyRYQUFRHGICXMOA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.41
Rot. Bonds10

About 5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine

5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine (PubChem CID 81101853) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine.

Molecular Properties

Compound Name5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine
PubChem CID81101853
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine
SMILESC=CCN(CC=C)CC(N)CCCOC
InChIInChI=1S/C12H24N2O/c1-4-8-14(9-5-2)11-12(13)7-6-10-15-3/h4-5,12H,1-2,6-11,13H2,3H3
InChIKeyRYQUFRHGICXMOA-UHFFFAOYSA-N
XLogP1.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine?
The IUPAC name of 5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine (CID 81101853) is 5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine.
What is the SMILES notation for 5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine?
The canonical SMILES for 5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine is C=CCN(CC=C)CC(N)CCCOC.
What is the InChIKey of 5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine?
The InChIKey is RYQUFRHGICXMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-8-14(9-5-2)11-12(13)7-6-10-15-3/h4-5,12H,1-2,6-11,13H2,3H3.
What are the key properties of 5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine?
5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.41, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine is sourced from PubChem (CID 81101853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).