3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine

C8H17NO — CID 59810890

IUPAC3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine
SMILESC=C(COC)C(C)(C)NC
InChIInChI=1S/C8H17NO/c1-7(6-10-5)8(2,3)9-4/h9H,1,6H2,2-5H3
InChIKeyLBDLMWMSNISNAN-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.19
Rot. Bonds4

About 3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine

3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine (PubChem CID 59810890) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine
PubChem CID59810890
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine
SMILESC=C(COC)C(C)(C)NC
InChIInChI=1S/C8H17NO/c1-7(6-10-5)8(2,3)9-4/h9H,1,6H2,2-5H3
InChIKeyLBDLMWMSNISNAN-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylidenebutoxy)-N-propan-2-ylpropan-1-amine
CID 66045505
N-tert-butyl-2-(methoxymethyl)prop-2-en-1-amine
CID 103074359
N-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine
CID 103074366
N-tert-butyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074385
N-tert-butyl-2-(propoxymethyl)prop-2-en-1-amine
CID 103074629
2-(butoxymethyl)-N-tert-butylprop-2-en-1-amine
CID 103074643
N-tert-butyl-2-(pent-4-enoxymethyl)prop-2-en-1-amine
CID 103074876
N-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine
CID 103074918
N-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine
CID 103075148
2-(3-methylbut-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103075151
N-tert-butyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine
CID 103075152
2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine
CID 103075154

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine?
The IUPAC name of 3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine (CID 59810890) is 3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine.
What is the SMILES notation for 3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine?
The canonical SMILES for 3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine is C=C(COC)C(C)(C)NC.
What is the InChIKey of 3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine?
The InChIKey is LBDLMWMSNISNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(6-10-5)8(2,3)9-4/h9H,1,6H2,2-5H3.
What are the key properties of 3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine?
3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine is sourced from PubChem (CID 59810890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).