7-methoxy-N-propylhept-1-en-4-amine

C11H23NO — CID 65091939

IUPAC7-methoxy-N-propylhept-1-en-4-amine
SMILESC=CCC(CCCOC)NCCC
InChIInChI=1S/C11H23NO/c1-4-7-11(12-9-5-2)8-6-10-13-3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyIRZFKEYFGIEROD-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds9

About 7-methoxy-N-propylhept-1-en-4-amine

7-methoxy-N-propylhept-1-en-4-amine (PubChem CID 65091939) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 7-methoxy-N-propylhept-1-en-4-amine.

Molecular Properties

Compound Name7-methoxy-N-propylhept-1-en-4-amine
PubChem CID65091939
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name7-methoxy-N-propylhept-1-en-4-amine
SMILESC=CCC(CCCOC)NCCC
InChIInChI=1S/C11H23NO/c1-4-7-11(12-9-5-2)8-6-10-13-3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyIRZFKEYFGIEROD-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methoxy-N-propylhept-1-en-4-amine?
The IUPAC name of 7-methoxy-N-propylhept-1-en-4-amine (CID 65091939) is 7-methoxy-N-propylhept-1-en-4-amine.
What is the SMILES notation for 7-methoxy-N-propylhept-1-en-4-amine?
The canonical SMILES for 7-methoxy-N-propylhept-1-en-4-amine is C=CCC(CCCOC)NCCC.
What is the InChIKey of 7-methoxy-N-propylhept-1-en-4-amine?
The InChIKey is IRZFKEYFGIEROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-7-11(12-9-5-2)8-6-10-13-3/h4,11-12H,1,5-10H2,2-3H3.
What are the key properties of 7-methoxy-N-propylhept-1-en-4-amine?
7-methoxy-N-propylhept-1-en-4-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-propylhept-1-en-4-amine is sourced from PubChem (CID 65091939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).