3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine

C11H23NO — CID 62442259

IUPAC3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine
SMILESC=CCOC(CNCCC)C(C)C
InChIInChI=1S/C11H23NO/c1-5-7-12-9-11(10(3)4)13-8-6-2/h6,10-12H,2,5,7-9H2,1,3-4H3
InChIKeyNDVXLLDXJVZGSL-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds8

About 3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine

3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine (PubChem CID 62442259) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine
PubChem CID62442259
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine
SMILESC=CCOC(CNCCC)C(C)C
InChIInChI=1S/C11H23NO/c1-5-7-12-9-11(10(3)4)13-8-6-2/h6,10-12H,2,5,7-9H2,1,3-4H3
InChIKeyNDVXLLDXJVZGSL-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine (CID 62442259) is 3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine is C=CCOC(CNCCC)C(C)C.
What is the InChIKey of 3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine?
The InChIKey is NDVXLLDXJVZGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-7-12-9-11(10(3)4)13-8-6-2/h6,10-12H,2,5,7-9H2,1,3-4H3.
What are the key properties of 3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine?
3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine is sourced from PubChem (CID 62442259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).