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

C8H15NO — CID 139378217

IUPAC(3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine
SMILESC=C/C=C(/N)C(C)(C)OC
InChIInChI=1S/C8H15NO/c1-5-6-7(9)8(2,3)10-4/h5-6H,1,9H2,2-4H3/b7-6+
InChIKeyURPAWTQSLBQCRJ-VOTSOKGWSA-N
MW141.21 g/mol
LogP1.44
Rot. Bonds3

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

(3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine (PubChem CID 139378217) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine
PubChem CID139378217
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine
SMILESC=C/C=C(/N)C(C)(C)OC
InChIInChI=1S/C8H15NO/c1-5-6-7(9)8(2,3)10-4/h5-6H,1,9H2,2-4H3/b7-6+
InChIKeyURPAWTQSLBQCRJ-VOTSOKGWSA-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine?
The IUPAC name of (3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine (CID 139378217) is (3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine.
What is the SMILES notation for (3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine?
The canonical SMILES for (3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine is C=C/C=C(/N)C(C)(C)OC.
What is the InChIKey of (3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine?
The InChIKey is URPAWTQSLBQCRJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-6-7(9)8(2,3)10-4/h5-6H,1,9H2,2-4H3/b7-6+.
What are the key properties of (3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine?
(3E)-2-methoxy-2-methylhexa-3,5-dien-3-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 (3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine is sourced from PubChem (CID 139378217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).