(Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine

C7H15NO — CID 143962949

IUPAC(Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine
SMILESC/C=C(/C)C(NC)OC
InChIInChI=1S/C7H15NO/c1-5-6(2)7(8-3)9-4/h5,7-8H,1-4H3/b6-5-
InChIKeyIABSZEVUFMREDU-WAYWQWQTSA-N
MW129.20 g/mol
LogP1.14
Rot. Bonds3

About (Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine

(Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine (PubChem CID 143962949) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine
PubChem CID143962949
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine
SMILESC/C=C(/C)C(NC)OC
InChIInChI=1S/C7H15NO/c1-5-6(2)7(8-3)9-4/h5,7-8H,1-4H3/b6-5-
InChIKeyIABSZEVUFMREDU-WAYWQWQTSA-N
XLogP1.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-Ethoxyethylidene)azetidine
CID 54409560
4-methoxy-N-methylbut-2-en-1-amine
CID 54452515
(E)-4-methoxy-N-methylbut-2-en-1-amine
CID 58916002
1-methoxy-N,2-dimethylprop-2-en-1-amine
CID 129016738
N-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine
CID 135128671
N-ethyl-2-(oxetan-3-ylidene)ethanamine
CID 141356196
2-Methoxy-3-methyl-1,2-dihydropyridine
CID 147499292
(E)-4-methoxy-3-methylbut-2-en-1-amine
CID 63969256
4-Methoxy-3-methylbut-2-en-1-amine
CID 76997092
2-(methoxymethyl)-N-methylprop-2-en-1-amine
CID 103074362
2-(ethoxymethyl)-N-methylprop-2-en-1-amine
CID 103074369
2-[[(E)-but-2-enoxy]methyl]-N-methylprop-2-en-1-amine
CID 103074722

Frequently Asked Questions

What is the IUPAC name of (Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine?
The IUPAC name of (Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine (CID 143962949) is (Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine.
What is the SMILES notation for (Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine?
The canonical SMILES for (Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine is C/C=C(/C)C(NC)OC.
What is the InChIKey of (Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine?
The InChIKey is IABSZEVUFMREDU-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-6(2)7(8-3)9-4/h5,7-8H,1-4H3/b6-5-.
What are the key properties of (Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine?
(Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine is sourced from PubChem (CID 143962949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).