N-methoxy-N-methylbut-1-en-2-amine

C6H13NO — CID 156857821

IUPACN-methoxy-N-methylbut-1-en-2-amine
SMILESC=C(CC)N(C)OC
InChIInChI=1S/C6H13NO/c1-5-6(2)7(3)8-4/h2,5H2,1,3-4H3
InChIKeyZWAFTLZPYSGNAY-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.40
Rot. Bonds3

About N-methoxy-N-methylbut-1-en-2-amine

N-methoxy-N-methylbut-1-en-2-amine (PubChem CID 156857821) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-methoxy-N-methylbut-1-en-2-amine.

Molecular Properties

Compound NameN-methoxy-N-methylbut-1-en-2-amine
PubChem CID156857821
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-methoxy-N-methylbut-1-en-2-amine
SMILESC=C(CC)N(C)OC
InChIInChI=1S/C6H13NO/c1-5-6(2)7(3)8-4/h2,5H2,1,3-4H3
InChIKeyZWAFTLZPYSGNAY-UHFFFAOYSA-N
XLogP1.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methylbut-1-en-2-amine?
The IUPAC name of N-methoxy-N-methylbut-1-en-2-amine (CID 156857821) is N-methoxy-N-methylbut-1-en-2-amine.
What is the SMILES notation for N-methoxy-N-methylbut-1-en-2-amine?
The canonical SMILES for N-methoxy-N-methylbut-1-en-2-amine is C=C(CC)N(C)OC.
What is the InChIKey of N-methoxy-N-methylbut-1-en-2-amine?
The InChIKey is ZWAFTLZPYSGNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-6(2)7(3)8-4/h2,5H2,1,3-4H3.
What are the key properties of N-methoxy-N-methylbut-1-en-2-amine?
N-methoxy-N-methylbut-1-en-2-amine has a molecular weight of 115.18 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methylbut-1-en-2-amine is sourced from PubChem (CID 156857821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).