3-octoxypropan-1-amine;hydrochloride

C11H26ClNO — CID 47002313

IUPAC3-octoxypropan-1-amine;hydrochloride
SMILESCCCCCCCCOCCCN.Cl
InChIInChI=1S/C11H25NO.ClH/c1-2-3-4-5-6-7-10-13-11-8-9-12;/h2-12H2,1H3;1H
InChIKeyNFEFISALQVOVFF-UHFFFAOYSA-N
MW223.79 g/mol
LogP3.13
Rot. Bonds10

About 3-octoxypropan-1-amine;hydrochloride

3-octoxypropan-1-amine;hydrochloride (PubChem CID 47002313) has the molecular formula C11H26ClNO and a molecular weight of 223.79 g/mol. Its IUPAC name is 3-octoxypropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-octoxypropan-1-amine;hydrochloride
PubChem CID47002313
Molecular FormulaC11H26ClNO
Molecular Weight223.79 g/mol
Exact Mass223.17
IUPAC Name3-octoxypropan-1-amine;hydrochloride
SMILESCCCCCCCCOCCCN.Cl
InChIInChI=1S/C11H25NO.ClH/c1-2-3-4-5-6-7-10-13-11-8-9-12;/h2-12H2,1H3;1H
InChIKeyNFEFISALQVOVFF-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.79
LogP ≤ 53.13
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-octoxypropan-1-amine;hydrochloride?
The IUPAC name of 3-octoxypropan-1-amine;hydrochloride (CID 47002313) is 3-octoxypropan-1-amine;hydrochloride.
What is the SMILES notation for 3-octoxypropan-1-amine;hydrochloride?
The canonical SMILES for 3-octoxypropan-1-amine;hydrochloride is CCCCCCCCOCCCN.Cl.
What is the InChIKey of 3-octoxypropan-1-amine;hydrochloride?
The InChIKey is NFEFISALQVOVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO.ClH/c1-2-3-4-5-6-7-10-13-11-8-9-12;/h2-12H2,1H3;1H.
What are the key properties of 3-octoxypropan-1-amine;hydrochloride?
3-octoxypropan-1-amine;hydrochloride has a molecular weight of 223.79 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octoxypropan-1-amine;hydrochloride is sourced from PubChem (CID 47002313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).