(2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine

C9H17NO — CID 144630145

IUPAC(2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine
SMILESCC/C(=C\C=C(/C)CN)OC
InChIInChI=1S/C9H17NO/c1-4-9(11-3)6-5-8(2)7-10/h5-6H,4,7,10H2,1-3H3/b8-5+,9-6+
InChIKeyIWWTXLSGILKCCY-XVYDYJIPSA-N
MW155.24 g/mol
LogP1.83
Rot. Bonds4

About (2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine

(2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine (PubChem CID 144630145) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine
PubChem CID144630145
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine
SMILESCC/C(=C\C=C(/C)CN)OC
InChIInChI=1S/C9H17NO/c1-4-9(11-3)6-5-8(2)7-10/h5-6H,4,7,10H2,1-3H3/b8-5+,9-6+
InChIKeyIWWTXLSGILKCCY-XVYDYJIPSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine (CID 144630145) is (2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine is CC/C(=C\C=C(/C)CN)OC.
What is the InChIKey of (2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine?
The InChIKey is IWWTXLSGILKCCY-XVYDYJIPSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-9(11-3)6-5-8(2)7-10/h5-6H,4,7,10H2,1-3H3/b8-5+,9-6+.
What are the key properties of (2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine?
(2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-methoxy-2-methylhepta-2,4-dien-1-amine is sourced from PubChem (CID 144630145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).