6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine

C21H37NO2 — CID 142548504

IUPAC6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine
SMILESCCC1CCOC(/C=C/C(C)=C/CC2OC(C)C(NC)CC2C)C1
InChIInChI=1S/C21H37NO2/c1-6-18-11-12-23-19(14-18)9-7-15(2)8-10-21-16(3)13-20(22-5)17(4)24-21/h7-9,16-22H,6,10-14H2,1-5H3/b9-7+,15-8+
InChIKeyXKXUILDJNQWOFM-KZVYIGENSA-N
MW335.53 g/mol
LogP4.49
Rot. Bonds6

About 6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine

6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine (PubChem CID 142548504) has the molecular formula C21H37NO2 and a molecular weight of 335.53 g/mol. Its IUPAC name is 6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine.

Molecular Properties

Compound Name6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine
PubChem CID142548504
Molecular FormulaC21H37NO2
Molecular Weight335.53 g/mol
Exact Mass335.28
IUPAC Name6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine
SMILESCCC1CCOC(/C=C/C(C)=C/CC2OC(C)C(NC)CC2C)C1
InChIInChI=1S/C21H37NO2/c1-6-18-11-12-23-19(14-18)9-7-15(2)8-10-21-16(3)13-20(22-5)17(4)24-21/h7-9,16-22H,6,10-14H2,1-5H3/b9-7+,15-8+
InChIKeyXKXUILDJNQWOFM-KZVYIGENSA-N
XLogP4.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine?
The IUPAC name of 6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine (CID 142548504) is 6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine.
What is the SMILES notation for 6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine?
The canonical SMILES for 6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine is CCC1CCOC(/C=C/C(C)=C/CC2OC(C)C(NC)CC2C)C1.
What is the InChIKey of 6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine?
The InChIKey is XKXUILDJNQWOFM-KZVYIGENSA-N. The full InChI is InChI=1S/C21H37NO2/c1-6-18-11-12-23-19(14-18)9-7-15(2)8-10-21-16(3)13-20(22-5)17(4)24-21/h7-9,16-22H,6,10-14H2,1-5H3/b9-7+,15-8+.
What are the key properties of 6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine?
6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine has a molecular weight of 335.53 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E,4E)-5-(4-ethyloxan-2-yl)-3-methylpenta-2,4-dienyl]-N,2,5-trimethyloxan-3-amine is sourced from PubChem (CID 142548504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).