4-octoxy-N-propylpentan-1-amine

C16H35NO — CID 62456827

IUPAC4-octoxy-N-propylpentan-1-amine
SMILESCCCCCCCCOC(C)CCCNCCC
InChIInChI=1S/C16H35NO/c1-4-6-7-8-9-10-15-18-16(3)12-11-14-17-13-5-2/h16-17H,4-15H2,1-3H3
InChIKeyKYGUDCJRJIXZJR-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.53
Rot. Bonds14

About 4-octoxy-N-propylpentan-1-amine

4-octoxy-N-propylpentan-1-amine (PubChem CID 62456827) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 4-octoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-octoxy-N-propylpentan-1-amine
PubChem CID62456827
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name4-octoxy-N-propylpentan-1-amine
SMILESCCCCCCCCOC(C)CCCNCCC
InChIInChI=1S/C16H35NO/c1-4-6-7-8-9-10-15-18-16(3)12-11-14-17-13-5-2/h16-17H,4-15H2,1-3H3
InChIKeyKYGUDCJRJIXZJR-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-octoxy-N-propylpentan-1-amine?
The IUPAC name of 4-octoxy-N-propylpentan-1-amine (CID 62456827) is 4-octoxy-N-propylpentan-1-amine.
What is the SMILES notation for 4-octoxy-N-propylpentan-1-amine?
The canonical SMILES for 4-octoxy-N-propylpentan-1-amine is CCCCCCCCOC(C)CCCNCCC.
What is the InChIKey of 4-octoxy-N-propylpentan-1-amine?
The InChIKey is KYGUDCJRJIXZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-4-6-7-8-9-10-15-18-16(3)12-11-14-17-13-5-2/h16-17H,4-15H2,1-3H3.
What are the key properties of 4-octoxy-N-propylpentan-1-amine?
4-octoxy-N-propylpentan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.53, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octoxy-N-propylpentan-1-amine is sourced from PubChem (CID 62456827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).