4-but-3-enoxy-4-methylpentan-2-amine

C10H21NO — CID 90749707

IUPAC4-but-3-enoxy-4-methylpentan-2-amine
SMILESC=CCCOC(C)(C)CC(C)N
InChIInChI=1S/C10H21NO/c1-5-6-7-12-10(3,4)8-9(2)11/h5,9H,1,6-8,11H2,2-4H3
InChIKeyMFHBQFDISFZOSO-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds6

About 4-but-3-enoxy-4-methylpentan-2-amine

4-but-3-enoxy-4-methylpentan-2-amine (PubChem CID 90749707) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-but-3-enoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name4-but-3-enoxy-4-methylpentan-2-amine
PubChem CID90749707
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-but-3-enoxy-4-methylpentan-2-amine
SMILESC=CCCOC(C)(C)CC(C)N
InChIInChI=1S/C10H21NO/c1-5-6-7-12-10(3,4)8-9(2)11/h5,9H,1,6-8,11H2,2-4H3
InChIKeyMFHBQFDISFZOSO-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-4-methylpentan-2-amine?
The IUPAC name of 4-but-3-enoxy-4-methylpentan-2-amine (CID 90749707) is 4-but-3-enoxy-4-methylpentan-2-amine.
What is the SMILES notation for 4-but-3-enoxy-4-methylpentan-2-amine?
The canonical SMILES for 4-but-3-enoxy-4-methylpentan-2-amine is C=CCCOC(C)(C)CC(C)N.
What is the InChIKey of 4-but-3-enoxy-4-methylpentan-2-amine?
The InChIKey is MFHBQFDISFZOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-7-12-10(3,4)8-9(2)11/h5,9H,1,6-8,11H2,2-4H3.
What are the key properties of 4-but-3-enoxy-4-methylpentan-2-amine?
4-but-3-enoxy-4-methylpentan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-4-methylpentan-2-amine is sourced from PubChem (CID 90749707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).