1-methoxy-3-[methyl(3-methylbut-2-enyl)amino]propan-2-ol

C10H21NO2 — CID 62014950

IUPAC1-methoxy-3-[methyl(3-methylbut-2-enyl)amino]propan-2-ol
SMILESCOCC(O)CN(C)CC=C(C)C
InChIInChI=1S/C10H21NO2/c1-9(2)5-6-11(3)7-10(12)8-13-4/h5,10,12H,6-8H2,1-4H3
InChIKeyBNMJRWCGHCLZBM-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.89
Rot. Bonds6

About 1-methoxy-3-[methyl(3-methylbut-2-enyl)amino]propan-2-ol

1-methoxy-3-[methyl(3-methylbut-2-enyl)amino]propan-2-ol (PubChem CID 62014950) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-methoxy-3-[methyl(3-methylbut-2-enyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl(3-methylbut-2-enyl)amino]propan-2-ol
PubChem CID62014950
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-methoxy-3-[methyl(3-methylbut-2-enyl)amino]propan-2-ol
SMILESCOCC(O)CN(C)CC=C(C)C
InChIInChI=1S/C10H21NO2/c1-9(2)5-6-11(3)7-10(12)8-13-4/h5,10,12H,6-8H2,1-4H3
InChIKeyBNMJRWCGHCLZBM-UHFFFAOYSA-N
XLogP0.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.89
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 1-methoxy-3-[methyl(3-methylbut-2-enyl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl(3-methylbut-2-enyl)amino]propan-2-ol (CID 62014950) is 1-methoxy-3-[methyl(3-methylbut-2-enyl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl(3-methylbut-2-enyl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl(3-methylbut-2-enyl)amino]propan-2-ol is COCC(O)CN(C)CC=C(C)C.
What is the InChIKey of 1-methoxy-3-[methyl(3-methylbut-2-enyl)amino]propan-2-ol?
The InChIKey is BNMJRWCGHCLZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)5-6-11(3)7-10(12)8-13-4/h5,10,12H,6-8H2,1-4H3.
What are the key properties of 1-methoxy-3-[methyl(3-methylbut-2-enyl)amino]propan-2-ol?
1-methoxy-3-[methyl(3-methylbut-2-enyl)amino]propan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl(3-methylbut-2-enyl)amino]propan-2-ol is sourced from PubChem (CID 62014950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).