4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine

C9H20N2O — CID 65382596

IUPAC4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine
SMILESC=CCNC(C)(CN)CCOC
InChIInChI=1S/C9H20N2O/c1-4-6-11-9(2,8-10)5-7-12-3/h4,11H,1,5-8,10H2,2-3H3
InChIKeyPDMMYIIAOMKAGH-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.52
Rot. Bonds7

About 4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine

4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine (PubChem CID 65382596) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine
PubChem CID65382596
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine
SMILESC=CCNC(C)(CN)CCOC
InChIInChI=1S/C9H20N2O/c1-4-6-11-9(2,8-10)5-7-12-3/h4,11H,1,5-8,10H2,2-3H3
InChIKeyPDMMYIIAOMKAGH-UHFFFAOYSA-N
XLogP0.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-methyl-2-N-prop-2-enylbutane-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 4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine?
The IUPAC name of 4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine (CID 65382596) is 4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine?
The canonical SMILES for 4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine is C=CCNC(C)(CN)CCOC.
What is the InChIKey of 4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine?
The InChIKey is PDMMYIIAOMKAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-6-11-9(2,8-10)5-7-12-3/h4,11H,1,5-8,10H2,2-3H3.
What are the key properties of 4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine?
4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine is sourced from PubChem (CID 65382596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).