N-methyl-2-prop-1-en-2-yloxyethanamine

C6H13NO — CID 118491434

IUPACN-methyl-2-prop-1-en-2-yloxyethanamine
SMILESC=C(C)OCCNC
InChIInChI=1S/C6H13NO/c1-6(2)8-5-4-7-3/h7H,1,4-5H2,2-3H3
InChIKeyXBTWZCBXAWMYRC-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.76
Rot. Bonds4

About N-methyl-2-prop-1-en-2-yloxyethanamine

N-methyl-2-prop-1-en-2-yloxyethanamine (PubChem CID 118491434) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-methyl-2-prop-1-en-2-yloxyethanamine.

Molecular Properties

Compound NameN-methyl-2-prop-1-en-2-yloxyethanamine
PubChem CID118491434
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-methyl-2-prop-1-en-2-yloxyethanamine
SMILESC=C(C)OCCNC
InChIInChI=1S/C6H13NO/c1-6(2)8-5-4-7-3/h7H,1,4-5H2,2-3H3
InChIKeyXBTWZCBXAWMYRC-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-en-2-yloxyethanamine?
The IUPAC name of N-methyl-2-prop-1-en-2-yloxyethanamine (CID 118491434) is N-methyl-2-prop-1-en-2-yloxyethanamine.
What is the SMILES notation for N-methyl-2-prop-1-en-2-yloxyethanamine?
The canonical SMILES for N-methyl-2-prop-1-en-2-yloxyethanamine is C=C(C)OCCNC.
What is the InChIKey of N-methyl-2-prop-1-en-2-yloxyethanamine?
The InChIKey is XBTWZCBXAWMYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2)8-5-4-7-3/h7H,1,4-5H2,2-3H3.
What are the key properties of N-methyl-2-prop-1-en-2-yloxyethanamine?
N-methyl-2-prop-1-en-2-yloxyethanamine 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-en-2-yloxyethanamine is sourced from PubChem (CID 118491434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).