N-methyl-2-(prop-2-enoxymethyl)butan-1-amine

C9H19NO — CID 158326199

IUPACN-methyl-2-(prop-2-enoxymethyl)butan-1-amine
SMILESC=CCOCC(CC)CNC
InChIInChI=1S/C9H19NO/c1-4-6-11-8-9(5-2)7-10-3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyRIFPLJBFMNFJSW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.43
Rot. Bonds7

About N-methyl-2-(prop-2-enoxymethyl)butan-1-amine

N-methyl-2-(prop-2-enoxymethyl)butan-1-amine (PubChem CID 158326199) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-methyl-2-(prop-2-enoxymethyl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(prop-2-enoxymethyl)butan-1-amine
PubChem CID158326199
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-methyl-2-(prop-2-enoxymethyl)butan-1-amine
SMILESC=CCOCC(CC)CNC
InChIInChI=1S/C9H19NO/c1-4-6-11-8-9(5-2)7-10-3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyRIFPLJBFMNFJSW-UHFFFAOYSA-N
XLogP1.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.43
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 N-methyl-2-(prop-2-enoxymethyl)butan-1-amine?
The IUPAC name of N-methyl-2-(prop-2-enoxymethyl)butan-1-amine (CID 158326199) is N-methyl-2-(prop-2-enoxymethyl)butan-1-amine.
What is the SMILES notation for N-methyl-2-(prop-2-enoxymethyl)butan-1-amine?
The canonical SMILES for N-methyl-2-(prop-2-enoxymethyl)butan-1-amine is C=CCOCC(CC)CNC.
What is the InChIKey of N-methyl-2-(prop-2-enoxymethyl)butan-1-amine?
The InChIKey is RIFPLJBFMNFJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6-11-8-9(5-2)7-10-3/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of N-methyl-2-(prop-2-enoxymethyl)butan-1-amine?
N-methyl-2-(prop-2-enoxymethyl)butan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(prop-2-enoxymethyl)butan-1-amine is sourced from PubChem (CID 158326199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).