5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine

C18H39NO3 — CID 135082618

IUPAC5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine
SMILESCOCCCCCN(CCCCCOC)CCCCCOC
InChIInChI=1S/C18H39NO3/c1-20-16-10-4-7-13-19(14-8-5-11-17-21-2)15-9-6-12-18-22-3/h4-18H2,1-3H3
InChIKeyUXIBTNAZPQEYBU-UHFFFAOYSA-N
MW317.51 g/mol
LogP3.74
Rot. Bonds18

About 5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine

5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine (PubChem CID 135082618) has the molecular formula C18H39NO3 and a molecular weight of 317.51 g/mol. Its IUPAC name is 5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine
PubChem CID135082618
Molecular FormulaC18H39NO3
Molecular Weight317.51 g/mol
Exact Mass317.29
IUPAC Name5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine
SMILESCOCCCCCN(CCCCCOC)CCCCCOC
InChIInChI=1S/C18H39NO3/c1-20-16-10-4-7-13-19(14-8-5-11-17-21-2)15-9-6-12-18-22-3/h4-18H2,1-3H3
InChIKeyUXIBTNAZPQEYBU-UHFFFAOYSA-N
XLogP3.74
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine?
The IUPAC name of 5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine (CID 135082618) is 5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine.
What is the SMILES notation for 5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine?
The canonical SMILES for 5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine is COCCCCCN(CCCCCOC)CCCCCOC.
What is the InChIKey of 5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine?
The InChIKey is UXIBTNAZPQEYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO3/c1-20-16-10-4-7-13-19(14-8-5-11-17-21-2)15-9-6-12-18-22-3/h4-18H2,1-3H3.
What are the key properties of 5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine?
5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine has a molecular weight of 317.51 g/mol, XLogP of 3.74, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,N-bis(5-methoxypentyl)pentan-1-amine is sourced from PubChem (CID 135082618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).