3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine

C10H21NO2 — CID 103229094

IUPAC3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine
SMILESC=C(C)CCOC(CNC)COC
InChIInChI=1S/C10H21NO2/c1-9(2)5-6-13-10(7-11-3)8-12-4/h10-11H,1,5-8H2,2-4H3
InChIKeyLGOFDSAKGXBKME-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.20
Rot. Bonds8

About 3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine

3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine (PubChem CID 103229094) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine
PubChem CID103229094
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine
SMILESC=C(C)CCOC(CNC)COC
InChIInChI=1S/C10H21NO2/c1-9(2)5-6-13-10(7-11-3)8-12-4/h10-11H,1,5-8H2,2-4H3
InChIKeyLGOFDSAKGXBKME-UHFFFAOYSA-N
XLogP1.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine 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 3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine (CID 103229094) is 3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine is C=C(C)CCOC(CNC)COC.
What is the InChIKey of 3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine?
The InChIKey is LGOFDSAKGXBKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)5-6-13-10(7-11-3)8-12-4/h10-11H,1,5-8H2,2-4H3.
What are the key properties of 3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine?
3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine is sourced from PubChem (CID 103229094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).