1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine

C18H36N2O — CID 107009451

IUPAC1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)C1CN(C(C)C)CCO1
InChIInChI=1S/C18H36N2O/c1-5-7-8-9-10-11-17(19-12-6-2)18-15-20(16(3)4)13-14-21-18/h5,16-19H,1,6-15H2,2-4H3
InChIKeyIPVKMWHQWFSVRD-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.60
Rot. Bonds11

About 1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine

1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine (PubChem CID 107009451) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine
PubChem CID107009451
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)C1CN(C(C)C)CCO1
InChIInChI=1S/C18H36N2O/c1-5-7-8-9-10-11-17(19-12-6-2)18-15-20(16(3)4)13-14-21-18/h5,16-19H,1,6-15H2,2-4H3
InChIKeyIPVKMWHQWFSVRD-UHFFFAOYSA-N
XLogP3.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.60
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 1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine?
The IUPAC name of 1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine (CID 107009451) is 1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine.
What is the SMILES notation for 1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine?
The canonical SMILES for 1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine is C=CCCCCCC(NCCC)C1CN(C(C)C)CCO1.
What is the InChIKey of 1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine?
The InChIKey is IPVKMWHQWFSVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-5-7-8-9-10-11-17(19-12-6-2)18-15-20(16(3)4)13-14-21-18/h5,16-19H,1,6-15H2,2-4H3.
What are the key properties of 1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine?
1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.60, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine is sourced from PubChem (CID 107009451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).