4-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine

C12H25NO — CID 103522623

IUPAC4-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCC=C(C)C
InChIInChI=1S/C12H25NO/c1-10(2)7-8-13-11(3)9-12(4,5)14-6/h7,11,13H,8-9H2,1-6H3
InChIKeyLVCRUYYFNGIZSL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds6

About 4-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine

4-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine (PubChem CID 103522623) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine
PubChem CID103522623
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCC=C(C)C
InChIInChI=1S/C12H25NO/c1-10(2)7-8-13-11(3)9-12(4,5)14-6/h7,11,13H,8-9H2,1-6H3
InChIKeyLVCRUYYFNGIZSL-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 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 ≤ 52.75
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-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine (CID 103522623) is 4-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine is COC(C)(C)CC(C)NCC=C(C)C.
What is the InChIKey of 4-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine?
The InChIKey is LVCRUYYFNGIZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)7-8-13-11(3)9-12(4,5)14-6/h7,11,13H,8-9H2,1-6H3.
What are the key properties of 4-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine?
4-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-(3-methylbut-2-enyl)pentan-2-amine is sourced from PubChem (CID 103522623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).