4-(2,3-dimethylbut-3-enoxy)-4-methylpentan-2-amine

C12H25NO — CID 148531482

IUPAC4-(2,3-dimethylbut-3-enoxy)-4-methylpentan-2-amine
SMILESC=C(C)C(C)COC(C)(C)CC(C)N
InChIInChI=1S/C12H25NO/c1-9(2)10(3)8-14-12(5,6)7-11(4)13/h10-11H,1,7-8,13H2,2-6H3
InChIKeyMQJLWZVCTWWJPG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.73
Rot. Bonds6

About 4-(2,3-dimethylbut-3-enoxy)-4-methylpentan-2-amine

4-(2,3-dimethylbut-3-enoxy)-4-methylpentan-2-amine (PubChem CID 148531482) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(2,3-dimethylbut-3-enoxy)-4-methylpentan-2-amine.

Molecular Properties

Compound Name4-(2,3-dimethylbut-3-enoxy)-4-methylpentan-2-amine
PubChem CID148531482
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(2,3-dimethylbut-3-enoxy)-4-methylpentan-2-amine
SMILESC=C(C)C(C)COC(C)(C)CC(C)N
InChIInChI=1S/C12H25NO/c1-9(2)10(3)8-14-12(5,6)7-11(4)13/h10-11H,1,7-8,13H2,2-6H3
InChIKeyMQJLWZVCTWWJPG-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.73
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 4-(2,3-dimethylbut-3-enoxy)-4-methylpentan-2-amine?
The IUPAC name of 4-(2,3-dimethylbut-3-enoxy)-4-methylpentan-2-amine (CID 148531482) is 4-(2,3-dimethylbut-3-enoxy)-4-methylpentan-2-amine.
What is the SMILES notation for 4-(2,3-dimethylbut-3-enoxy)-4-methylpentan-2-amine?
The canonical SMILES for 4-(2,3-dimethylbut-3-enoxy)-4-methylpentan-2-amine is C=C(C)C(C)COC(C)(C)CC(C)N.
What is the InChIKey of 4-(2,3-dimethylbut-3-enoxy)-4-methylpentan-2-amine?
The InChIKey is MQJLWZVCTWWJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)10(3)8-14-12(5,6)7-11(4)13/h10-11H,1,7-8,13H2,2-6H3.
What are the key properties of 4-(2,3-dimethylbut-3-enoxy)-4-methylpentan-2-amine?
4-(2,3-dimethylbut-3-enoxy)-4-methylpentan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbut-3-enoxy)-4-methylpentan-2-amine is sourced from PubChem (CID 148531482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).