3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine

C10H21NO2 — CID 173379348

IUPAC3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine
SMILESCO/C(C)=C/COC(C)(C)CCN
InChIInChI=1S/C10H21NO2/c1-9(12-4)5-8-13-10(2,3)6-7-11/h5H,6-8,11H2,1-4H3/b9-5+
InChIKeyNMVBMKORUZRBDR-WEVVVXLNSA-N
MW187.28 g/mol
LogP1.68
Rot. Bonds6

About 3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine

3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine (PubChem CID 173379348) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine
PubChem CID173379348
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine
SMILESCO/C(C)=C/COC(C)(C)CCN
InChIInChI=1S/C10H21NO2/c1-9(12-4)5-8-13-10(2,3)6-7-11/h5H,6-8,11H2,1-4H3/b9-5+
InChIKeyNMVBMKORUZRBDR-WEVVVXLNSA-N
XLogP1.68
TPSA44.48 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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine?
The IUPAC name of 3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine (CID 173379348) is 3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine.
What is the SMILES notation for 3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine?
The canonical SMILES for 3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine is CO/C(C)=C/COC(C)(C)CCN.
What is the InChIKey of 3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine?
The InChIKey is NMVBMKORUZRBDR-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(12-4)5-8-13-10(2,3)6-7-11/h5H,6-8,11H2,1-4H3/b9-5+.
What are the key properties of 3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine?
3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine is sourced from PubChem (CID 173379348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).