3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine

C11H25NO — CID 103033087

IUPAC3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine
SMILESCOC(C)(C)CCNCCC(C)C
InChIInChI=1S/C11H25NO/c1-10(2)6-8-12-9-7-11(3,4)13-5/h10,12H,6-9H2,1-5H3
InChIKeyQIAJJWPWCRIONH-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds7

About 3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine

3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine (PubChem CID 103033087) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine
PubChem CID103033087
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine
SMILESCOC(C)(C)CCNCCC(C)C
InChIInChI=1S/C11H25NO/c1-10(2)6-8-12-9-7-11(3,4)13-5/h10,12H,6-9H2,1-5H3
InChIKeyQIAJJWPWCRIONH-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine (CID 103033087) is 3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine is COC(C)(C)CCNCCC(C)C.
What is the InChIKey of 3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine?
The InChIKey is QIAJJWPWCRIONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-10(2)6-8-12-9-7-11(3,4)13-5/h10,12H,6-9H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine?
3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine is sourced from PubChem (CID 103033087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).