1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine

C11H23NO — CID 66044999

IUPAC1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine
SMILESC=C(CC)CNC(COC)C(C)C
InChIInChI=1S/C11H23NO/c1-6-10(4)7-12-11(8-13-5)9(2)3/h9,11-12H,4,6-8H2,1-3,5H3
InChIKeyOVZMDTNETOBIQJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds7

About 1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine

1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine (PubChem CID 66044999) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine
PubChem CID66044999
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine
SMILESC=C(CC)CNC(COC)C(C)C
InChIInChI=1S/C11H23NO/c1-6-10(4)7-12-11(8-13-5)9(2)3/h9,11-12H,4,6-8H2,1-3,5H3
InChIKeyOVZMDTNETOBIQJ-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.21
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 1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine (CID 66044999) is 1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine is C=C(CC)CNC(COC)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine?
The InChIKey is OVZMDTNETOBIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-10(4)7-12-11(8-13-5)9(2)3/h9,11-12H,4,6-8H2,1-3,5H3.
What are the key properties of 1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine?
1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-(2-methylidenebutyl)butan-2-amine is sourced from PubChem (CID 66044999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).