3-nonoxypropan-1-amine

C12H27NO — CID 13313086

IUPAC3-nonoxypropan-1-amine
SMILESCCCCCCCCCOCCCN
InChIInChI=1S/C12H27NO/c1-2-3-4-5-6-7-8-11-14-12-9-10-13/h2-13H2,1H3
InChIKeyZINQYRQLEDIWQS-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.10
Rot. Bonds11

About 3-nonoxypropan-1-amine

3-nonoxypropan-1-amine (PubChem CID 13313086) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-nonoxypropan-1-amine.

Molecular Properties

Compound Name3-nonoxypropan-1-amine
PubChem CID13313086
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-nonoxypropan-1-amine
SMILESCCCCCCCCCOCCCN
InChIInChI=1S/C12H27NO/c1-2-3-4-5-6-7-8-11-14-12-9-10-13/h2-13H2,1H3
InChIKeyZINQYRQLEDIWQS-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.10
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-nonoxypropan-1-amine?
The IUPAC name of 3-nonoxypropan-1-amine (CID 13313086) is 3-nonoxypropan-1-amine.
What is the SMILES notation for 3-nonoxypropan-1-amine?
The canonical SMILES for 3-nonoxypropan-1-amine is CCCCCCCCCOCCCN.
What is the InChIKey of 3-nonoxypropan-1-amine?
The InChIKey is ZINQYRQLEDIWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-2-3-4-5-6-7-8-11-14-12-9-10-13/h2-13H2,1H3.
What are the key properties of 3-nonoxypropan-1-amine?
3-nonoxypropan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 3.10, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonoxypropan-1-amine is sourced from PubChem (CID 13313086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).