7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine

C17H32N2O — CID 90116030

IUPAC7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine
SMILESCC(C)=CCCC=CCNCCC(C)N1CCOCC1
InChIInChI=1S/C17H32N2O/c1-16(2)8-6-4-5-7-10-18-11-9-17(3)19-12-14-20-15-13-19/h5,7-8,17-18H,4,6,9-15H2,1-3H3
InChIKeyGVZUCGRNHVROIE-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.99
Rot. Bonds9

About 7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine

7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine (PubChem CID 90116030) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine.

Molecular Properties

Compound Name7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine
PubChem CID90116030
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine
SMILESCC(C)=CCCC=CCNCCC(C)N1CCOCC1
InChIInChI=1S/C17H32N2O/c1-16(2)8-6-4-5-7-10-18-11-9-17(3)19-12-14-20-15-13-19/h5,7-8,17-18H,4,6,9-15H2,1-3H3
InChIKeyGVZUCGRNHVROIE-UHFFFAOYSA-N
XLogP2.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine?
The IUPAC name of 7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine (CID 90116030) is 7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine.
What is the SMILES notation for 7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine?
The canonical SMILES for 7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine is CC(C)=CCCC=CCNCCC(C)N1CCOCC1.
What is the InChIKey of 7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine?
The InChIKey is GVZUCGRNHVROIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-16(2)8-6-4-5-7-10-18-11-9-17(3)19-12-14-20-15-13-19/h5,7-8,17-18H,4,6,9-15H2,1-3H3.
What are the key properties of 7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine?
7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine has a molecular weight of 280.46 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine is sourced from PubChem (CID 90116030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).