N-methyl-2-prop-1-enoxyethanamine

C6H13NO — CID 123465883

IUPACN-methyl-2-prop-1-enoxyethanamine
SMILESCC=COCCNC
InChIInChI=1S/C6H13NO/c1-3-5-8-6-4-7-2/h3,5,7H,4,6H2,1-2H3
InChIKeyPOYFSTANZVVMGE-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.76
Rot. Bonds4

About N-methyl-2-prop-1-enoxyethanamine

N-methyl-2-prop-1-enoxyethanamine (PubChem CID 123465883) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-methyl-2-prop-1-enoxyethanamine.

Molecular Properties

Compound NameN-methyl-2-prop-1-enoxyethanamine
PubChem CID123465883
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-methyl-2-prop-1-enoxyethanamine
SMILESCC=COCCNC
InChIInChI=1S/C6H13NO/c1-3-5-8-6-4-7-2/h3,5,7H,4,6H2,1-2H3
InChIKeyPOYFSTANZVVMGE-UHFFFAOYSA-N
XLogP0.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-prop-1-enoxyethanamine?
The IUPAC name of N-methyl-2-prop-1-enoxyethanamine (CID 123465883) is N-methyl-2-prop-1-enoxyethanamine.
What is the SMILES notation for N-methyl-2-prop-1-enoxyethanamine?
The canonical SMILES for N-methyl-2-prop-1-enoxyethanamine is CC=COCCNC.
What is the InChIKey of N-methyl-2-prop-1-enoxyethanamine?
The InChIKey is POYFSTANZVVMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-5-8-6-4-7-2/h3,5,7H,4,6H2,1-2H3.
What are the key properties of N-methyl-2-prop-1-enoxyethanamine?
N-methyl-2-prop-1-enoxyethanamine has a molecular weight of 115.18 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-prop-1-enoxyethanamine is sourced from PubChem (CID 123465883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).