3-(1-octylperoxypropan-2-yloxy)propan-1-amine

C14H31NO3 — CID 87468732

IUPAC3-(1-octylperoxypropan-2-yloxy)propan-1-amine
SMILESCCCCCCCCOOCC(C)OCCCN
InChIInChI=1S/C14H31NO3/c1-3-4-5-6-7-8-12-17-18-13-14(2)16-11-9-10-15/h14H,3-13,15H2,1-2H3
InChIKeyRPWSOJGCHNOTNJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.05
Rot. Bonds14

About 3-(1-octylperoxypropan-2-yloxy)propan-1-amine

3-(1-octylperoxypropan-2-yloxy)propan-1-amine (PubChem CID 87468732) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(1-octylperoxypropan-2-yloxy)propan-1-amine.

Molecular Properties

Compound Name3-(1-octylperoxypropan-2-yloxy)propan-1-amine
PubChem CID87468732
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name3-(1-octylperoxypropan-2-yloxy)propan-1-amine
SMILESCCCCCCCCOOCC(C)OCCCN
InChIInChI=1S/C14H31NO3/c1-3-4-5-6-7-8-12-17-18-13-14(2)16-11-9-10-15/h14H,3-13,15H2,1-2H3
InChIKeyRPWSOJGCHNOTNJ-UHFFFAOYSA-N
XLogP3.05
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-(2-hexoxypropoxy)hexane
CID 71353992
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 140766817
2-(2-heptoxypropoxy)propyl acetate
CID 155100621
2-tetradecoxypropyl tetradecanoate
CID 170841381
3-butan-2-yloxypropan-1-amine
CID 54795719
1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
2-[(2R)-2-butoxypropyl]peroxyethyl-trimethylazanium
CID 171500772
1-(1-propoxypropan-2-yloxy)pentane
CID 154093458
1-octylperoxynonane
CID 151564626
2-[2-[2-[2-(2-decoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 139973297
2-(2-heptoxypropoxy)propan-1-ol
CID 90302123

Frequently Asked Questions

What is the IUPAC name of 3-(1-octylperoxypropan-2-yloxy)propan-1-amine?
The IUPAC name of 3-(1-octylperoxypropan-2-yloxy)propan-1-amine (CID 87468732) is 3-(1-octylperoxypropan-2-yloxy)propan-1-amine.
What is the SMILES notation for 3-(1-octylperoxypropan-2-yloxy)propan-1-amine?
The canonical SMILES for 3-(1-octylperoxypropan-2-yloxy)propan-1-amine is CCCCCCCCOOCC(C)OCCCN.
What is the InChIKey of 3-(1-octylperoxypropan-2-yloxy)propan-1-amine?
The InChIKey is RPWSOJGCHNOTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-3-4-5-6-7-8-12-17-18-13-14(2)16-11-9-10-15/h14H,3-13,15H2,1-2H3.
What are the key properties of 3-(1-octylperoxypropan-2-yloxy)propan-1-amine?
3-(1-octylperoxypropan-2-yloxy)propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.05, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-octylperoxypropan-2-yloxy)propan-1-amine is sourced from PubChem (CID 87468732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).