3-methoxy-N-methylbut-3-en-1-amine

C6H13NO — CID 91537901

IUPAC3-methoxy-N-methylbut-3-en-1-amine
SMILESC=C(CCNC)OC
InChIInChI=1S/C6H13NO/c1-6(8-3)4-5-7-2/h7H,1,4-5H2,2-3H3
InChIKeyCXWZNOGSPSCRNT-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.76
Rot. Bonds4

About 3-methoxy-N-methylbut-3-en-1-amine

3-methoxy-N-methylbut-3-en-1-amine (PubChem CID 91537901) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-methoxy-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methylbut-3-en-1-amine
PubChem CID91537901
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-methoxy-N-methylbut-3-en-1-amine
SMILESC=C(CCNC)OC
InChIInChI=1S/C6H13NO/c1-6(8-3)4-5-7-2/h7H,1,4-5H2,2-3H3
InChIKeyCXWZNOGSPSCRNT-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'}

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Related Compounds

4-methoxy-2,3-dihydro-1H-pyrrole
CID 55287923
N-methyl-3-[4-(methylamino)but-1-en-2-yloxy]but-3-en-1-amine
CID 56621818
N-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine
CID 57090165
3-Methoxybut-3-en-1-amine
CID 89264894
3-Methoxypenta-3,4-dien-1-amine
CID 139950067
4-(Methylamino)but-1-en-2-yl hypoiodite
CID 142926258
(E)-2-methoxy-N-methylbut-1-en-1-amine
CID 148482069
4-methoxy-N-methylpent-4-en-1-amine
CID 155570140
3-butan-2-yloxy-N-methylbut-3-en-1-amine
CID 167073448
4-ethoxy-N-methylbut-3-en-1-amine
CID 173533985
4-methoxy-N-methylbut-3-en-1-amine
CID 173533989
3-(1-Methoxyethenyl)azetidine
CID 176930542

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methylbut-3-en-1-amine?
The IUPAC name of 3-methoxy-N-methylbut-3-en-1-amine (CID 91537901) is 3-methoxy-N-methylbut-3-en-1-amine.
What is the SMILES notation for 3-methoxy-N-methylbut-3-en-1-amine?
The canonical SMILES for 3-methoxy-N-methylbut-3-en-1-amine is C=C(CCNC)OC.
What is the InChIKey of 3-methoxy-N-methylbut-3-en-1-amine?
The InChIKey is CXWZNOGSPSCRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(8-3)4-5-7-2/h7H,1,4-5H2,2-3H3.
What are the key properties of 3-methoxy-N-methylbut-3-en-1-amine?
3-methoxy-N-methylbut-3-en-1-amine 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 3-methoxy-N-methylbut-3-en-1-amine is sourced from PubChem (CID 91537901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).