3-(2-ethylhexoxy)-N-propylpropan-1-amine

C14H31NO — CID 62456601

IUPAC3-(2-ethylhexoxy)-N-propylpropan-1-amine
SMILESCCCCC(CC)COCCCNCCC
InChIInChI=1S/C14H31NO/c1-4-7-9-14(6-3)13-16-12-8-11-15-10-5-2/h14-15H,4-13H2,1-3H3
InChIKeyVHZLGIJAUQHUMB-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds12

About 3-(2-ethylhexoxy)-N-propylpropan-1-amine

3-(2-ethylhexoxy)-N-propylpropan-1-amine (PubChem CID 62456601) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-(2-ethylhexoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethylhexoxy)-N-propylpropan-1-amine
PubChem CID62456601
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name3-(2-ethylhexoxy)-N-propylpropan-1-amine
SMILESCCCCC(CC)COCCCNCCC
InChIInChI=1S/C14H31NO/c1-4-7-9-14(6-3)13-16-12-8-11-15-10-5-2/h14-15H,4-13H2,1-3H3
InChIKeyVHZLGIJAUQHUMB-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
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-(2-ethylhexoxy)-N-propylpropan-1-amine?
The IUPAC name of 3-(2-ethylhexoxy)-N-propylpropan-1-amine (CID 62456601) is 3-(2-ethylhexoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2-ethylhexoxy)-N-propylpropan-1-amine?
The canonical SMILES for 3-(2-ethylhexoxy)-N-propylpropan-1-amine is CCCCC(CC)COCCCNCCC.
What is the InChIKey of 3-(2-ethylhexoxy)-N-propylpropan-1-amine?
The InChIKey is VHZLGIJAUQHUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-4-7-9-14(6-3)13-16-12-8-11-15-10-5-2/h14-15H,4-13H2,1-3H3.
What are the key properties of 3-(2-ethylhexoxy)-N-propylpropan-1-amine?
3-(2-ethylhexoxy)-N-propylpropan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 62456601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).