2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene

C11H21NO — CID 144959851

IUPAC2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene
SMILESC=C/C=C\C(=C)C.CNCCOC
InChIInChI=1S/C7H10.C4H11NO/c1-4-5-6-7(2)3;1-5-3-4-6-2/h4-6H,1-2H2,3H3;5H,3-4H2,1-2H3/b6-5-;
InChIKeyPVQJYCJISWUTQG-YSMBQZINSA-N
MW183.29 g/mol
LogP2.16
Rot. Bonds5

About 2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene

2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene (PubChem CID 144959851) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene.

Molecular Properties

Compound Name2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene
PubChem CID144959851
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene
SMILESC=C/C=C\C(=C)C.CNCCOC
InChIInChI=1S/C7H10.C4H11NO/c1-4-5-6-7(2)3;1-5-3-4-6-2/h4-6H,1-2H2,3H3;5H,3-4H2,1-2H3/b6-5-;
InChIKeyPVQJYCJISWUTQG-YSMBQZINSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methoxy-N-methylethanamine
CID 91504059
methane;2-methoxy-N-methylethanamine
CID 159300149
ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene
CID 143500367
dichloromethane;2-methoxy-N-methylethanamine
CID 131725176
(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 142221683
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 86705991
2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine;1-methoxy-2-(2-methoxyethoxy)ethane
CID 168897586
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 146502176
carbamodithioic acid;2-methoxy-N-methylethanamine
CID 174232008
N-methyl-2-(2-prop-2-enoxyethoxy)ethanamine
CID 164530656
methyl (4Z)-3-methylidenehepta-4,6-dienoate
CID 143290496
(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
CID 143096583

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene?
The IUPAC name of 2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene (CID 144959851) is 2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene.
What is the SMILES notation for 2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene?
The canonical SMILES for 2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene is C=C/C=C\C(=C)C.CNCCOC.
What is the InChIKey of 2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene?
The InChIKey is PVQJYCJISWUTQG-YSMBQZINSA-N. The full InChI is InChI=1S/C7H10.C4H11NO/c1-4-5-6-7(2)3;1-5-3-4-6-2/h4-6H,1-2H2,3H3;5H,3-4H2,1-2H3/b6-5-;.
What are the key properties of 2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene?
2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene has a molecular weight of 183.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene is sourced from PubChem (CID 144959851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).