3-(2,2-dimethylbut-3-enoxy)-3-methylbutan-1-amine

C11H23NO — CID 144589038

IUPAC3-(2,2-dimethylbut-3-enoxy)-3-methylbutan-1-amine
SMILESC=CC(C)(C)COC(C)(C)CCN
InChIInChI=1S/C11H23NO/c1-6-10(2,3)9-13-11(4,5)7-8-12/h6H,1,7-9,12H2,2-5H3
InChIKeyRSTJJAKFFRJGCH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.34
Rot. Bonds6

About 3-(2,2-dimethylbut-3-enoxy)-3-methylbutan-1-amine

3-(2,2-dimethylbut-3-enoxy)-3-methylbutan-1-amine (PubChem CID 144589038) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(2,2-dimethylbut-3-enoxy)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethylbut-3-enoxy)-3-methylbutan-1-amine
PubChem CID144589038
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(2,2-dimethylbut-3-enoxy)-3-methylbutan-1-amine
SMILESC=CC(C)(C)COC(C)(C)CCN
InChIInChI=1S/C11H23NO/c1-6-10(2,3)9-13-11(4,5)7-8-12/h6H,1,7-9,12H2,2-5H3
InChIKeyRSTJJAKFFRJGCH-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(2,2-dimethylbut-3-enoxy)-3-methylbutan-1-amine?
The IUPAC name of 3-(2,2-dimethylbut-3-enoxy)-3-methylbutan-1-amine (CID 144589038) is 3-(2,2-dimethylbut-3-enoxy)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(2,2-dimethylbut-3-enoxy)-3-methylbutan-1-amine?
The canonical SMILES for 3-(2,2-dimethylbut-3-enoxy)-3-methylbutan-1-amine is C=CC(C)(C)COC(C)(C)CCN.
What is the InChIKey of 3-(2,2-dimethylbut-3-enoxy)-3-methylbutan-1-amine?
The InChIKey is RSTJJAKFFRJGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-10(2,3)9-13-11(4,5)7-8-12/h6H,1,7-9,12H2,2-5H3.
What are the key properties of 3-(2,2-dimethylbut-3-enoxy)-3-methylbutan-1-amine?
3-(2,2-dimethylbut-3-enoxy)-3-methylbutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbut-3-enoxy)-3-methylbutan-1-amine is sourced from PubChem (CID 144589038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).