3-pentoxypropan-1-amine

C8H19NO — CID 18672793

IUPAC3-pentoxypropan-1-amine
SMILESCCCCCOCCCN
InChIInChI=1S/C8H19NO/c1-2-3-4-7-10-8-5-6-9/h2-9H2,1H3
InChIKeyRYCRRVUWQZORFM-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.54
Rot. Bonds7

About 3-pentoxypropan-1-amine

3-pentoxypropan-1-amine (PubChem CID 18672793) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-pentoxypropan-1-amine.

Molecular Properties

Compound Name3-pentoxypropan-1-amine
PubChem CID18672793
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-pentoxypropan-1-amine
SMILESCCCCCOCCCN
InChIInChI=1S/C8H19NO/c1-2-3-4-7-10-8-5-6-9/h2-9H2,1H3
InChIKeyRYCRRVUWQZORFM-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.54
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 3-pentoxypropan-1-amine?
The IUPAC name of 3-pentoxypropan-1-amine (CID 18672793) is 3-pentoxypropan-1-amine.
What is the SMILES notation for 3-pentoxypropan-1-amine?
The canonical SMILES for 3-pentoxypropan-1-amine is CCCCCOCCCN.
What is the InChIKey of 3-pentoxypropan-1-amine?
The InChIKey is RYCRRVUWQZORFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-2-3-4-7-10-8-5-6-9/h2-9H2,1H3.
What are the key properties of 3-pentoxypropan-1-amine?
3-pentoxypropan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxypropan-1-amine is sourced from PubChem (CID 18672793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).