(3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine

C8H15NO — CID 89139574

IUPAC(3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine
SMILESC=C(/C=C(/C)C(C)N)OC
InChIInChI=1S/C8H15NO/c1-6(8(3)9)5-7(2)10-4/h5,8H,2,9H2,1,3-4H3/b6-5-
InChIKeyLWMDRNSIUMXSIM-WAYWQWQTSA-N
MW141.21 g/mol
LogP1.44
Rot. Bonds3

About (3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine

(3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine (PubChem CID 89139574) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine
PubChem CID89139574
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine
SMILESC=C(/C=C(/C)C(C)N)OC
InChIInChI=1S/C8H15NO/c1-6(8(3)9)5-7(2)10-4/h5,8H,2,9H2,1,3-4H3/b6-5-
InChIKeyLWMDRNSIUMXSIM-WAYWQWQTSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-Fluoro-4-methoxy-6-methylcyclohexa-2,4-dien-1-amine
CID 68421839
(3E)-5-(2,2-difluoropropoxy)-3-(2-methylprop-1-enyl)hepta-3,5,6-trien-2-amine
CID 124095375
(3E)-5-fluoro-4-methoxy-2-methylidenehexa-3,5-dien-1-amine
CID 144488234
(3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine
CID 162578637
4-Methoxycyclohexa-2,4-dien-1-amine
CID 15267074
1-(2H-pyran-4-yl)ethanamine
CID 23344134
4-Methoxy-2-methylcyclohexa-2,4-dien-1-amine
CID 70224953
(4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine
CID 88585562
(1Z,3Z)-5-methoxy-2-methylhexa-1,3,5-trien-1-amine
CID 89126573
(3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dien-2-amine
CID 89153797
(1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine
CID 89153922
(6-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 89270761

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine?
The IUPAC name of (3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine (CID 89139574) is (3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine.
What is the SMILES notation for (3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine?
The canonical SMILES for (3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine is C=C(/C=C(/C)C(C)N)OC.
What is the InChIKey of (3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine?
The InChIKey is LWMDRNSIUMXSIM-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(8(3)9)5-7(2)10-4/h5,8H,2,9H2,1,3-4H3/b6-5-.
What are the key properties of (3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine?
(3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine has a molecular weight of 141.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine is sourced from PubChem (CID 89139574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).