3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine

C24H51NO2 — CID 19385178

IUPAC3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine
SMILESCCCCCCC(CC)OCCCNCCCOC(CC)CCCCCC
InChIInChI=1S/C24H51NO2/c1-5-9-11-13-17-23(7-3)26-21-15-19-25-20-16-22-27-24(8-4)18-14-12-10-6-2/h23-25H,5-22H2,1-4H3
InChIKeyBTPGHFUAYXASAD-UHFFFAOYSA-N
MW385.68 g/mol
LogP6.89
Rot. Bonds22

About 3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine

3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine (PubChem CID 19385178) has the molecular formula C24H51NO2 and a molecular weight of 385.68 g/mol. Its IUPAC name is 3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine.

Molecular Properties

Compound Name3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine
PubChem CID19385178
Molecular FormulaC24H51NO2
Molecular Weight385.68 g/mol
Exact Mass385.39
IUPAC Name3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine
SMILESCCCCCCC(CC)OCCCNCCCOC(CC)CCCCCC
InChIInChI=1S/C24H51NO2/c1-5-9-11-13-17-23(7-3)26-21-15-19-25-20-16-22-27-24(8-4)18-14-12-10-6-2/h23-25H,5-22H2,1-4H3
InChIKeyBTPGHFUAYXASAD-UHFFFAOYSA-N
XLogP6.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine?
The IUPAC name of 3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine (CID 19385178) is 3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine.
What is the SMILES notation for 3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine?
The canonical SMILES for 3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine is CCCCCCC(CC)OCCCNCCCOC(CC)CCCCCC.
What is the InChIKey of 3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine?
The InChIKey is BTPGHFUAYXASAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO2/c1-5-9-11-13-17-23(7-3)26-21-15-19-25-20-16-22-27-24(8-4)18-14-12-10-6-2/h23-25H,5-22H2,1-4H3.
What are the key properties of 3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine?
3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine has a molecular weight of 385.68 g/mol, XLogP of 6.89, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonan-3-yloxy-N-(3-nonan-3-yloxypropyl)propan-1-amine is sourced from PubChem (CID 19385178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).