(3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine

C22H33NO2 — CID 144858292

IUPAC(3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine
SMILESC=C/C(=C\C(C(=C)C)=C(NCCOC)\C(=C\C=C(C)C)C(=C)C)OC
InChIInChI=1S/C22H33NO2/c1-10-19(25-9)15-21(18(6)7)22(23-13-14-24-8)20(17(4)5)12-11-16(2)3/h10-12,15,23H,1,4,6,13-14H2,2-3,5,7-9H3/b19-15+,20-12+,22-21+
InChIKeyQJYBCVKXPJXFDO-UIPGEZASSA-N
MW343.51 g/mol
LogP5.24
Rot. Bonds11

About (3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine

(3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine (PubChem CID 144858292) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is (3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine.

Molecular Properties

Compound Name(3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine
PubChem CID144858292
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name(3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine
SMILESC=C/C(=C\C(C(=C)C)=C(NCCOC)\C(=C\C=C(C)C)C(=C)C)OC
InChIInChI=1S/C22H33NO2/c1-10-19(25-9)15-21(18(6)7)22(23-13-14-24-8)20(17(4)5)12-11-16(2)3/h10-12,15,23H,1,4,6,13-14H2,2-3,5,7-9H3/b19-15+,20-12+,22-21+
InChIKeyQJYBCVKXPJXFDO-UIPGEZASSA-N
XLogP5.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine?
The IUPAC name of (3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine (CID 144858292) is (3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine.
What is the SMILES notation for (3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine?
The canonical SMILES for (3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine is C=C/C(=C\C(C(=C)C)=C(NCCOC)\C(=C\C=C(C)C)C(=C)C)OC.
What is the InChIKey of (3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine?
The InChIKey is QJYBCVKXPJXFDO-UIPGEZASSA-N. The full InChI is InChI=1S/C22H33NO2/c1-10-19(25-9)15-21(18(6)7)22(23-13-14-24-8)20(17(4)5)12-11-16(2)3/h10-12,15,23H,1,4,6,13-14H2,2-3,5,7-9H3/b19-15+,20-12+,22-21+.
What are the key properties of (3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine?
(3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine has a molecular weight of 343.51 g/mol, XLogP of 5.24, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine is sourced from PubChem (CID 144858292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).