3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine

C17H32N2O — CID 72671760

IUPAC3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine
SMILESCC(C)=CCCC(C)=CCNCCCN1CCOCC1
InChIInChI=1S/C17H32N2O/c1-16(2)6-4-7-17(3)8-10-18-9-5-11-19-12-14-20-15-13-19/h6,8,18H,4-5,7,9-15H2,1-3H3
InChIKeyZTZQUBYIYSWOBD-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.99
Rot. Bonds9

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

3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine (PubChem CID 72671760) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine.

Molecular Properties

Compound Name3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine
PubChem CID72671760
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine
SMILESCC(C)=CCCC(C)=CCNCCCN1CCOCC1
InChIInChI=1S/C17H32N2O/c1-16(2)6-4-7-17(3)8-10-18-9-5-11-19-12-14-20-15-13-19/h6,8,18H,4-5,7,9-15H2,1-3H3
InChIKeyZTZQUBYIYSWOBD-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 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine?
The IUPAC name of 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine (CID 72671760) is 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine.
What is the SMILES notation for 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine?
The canonical SMILES for 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine is CC(C)=CCCC(C)=CCNCCCN1CCOCC1.
What is the InChIKey of 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine?
The InChIKey is ZTZQUBYIYSWOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-16(2)6-4-7-17(3)8-10-18-9-5-11-19-12-14-20-15-13-19/h6,8,18H,4-5,7,9-15H2,1-3H3.
What are the key properties of 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine?
3,7-dimethyl-N-(3-morpholin-4-ylpropyl)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 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine is sourced from PubChem (CID 72671760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).