3-(2-ethylhexoxy)propan-1-amine

C11H25NO — CID 21499

IUPAC3-(2-ethylhexoxy)propan-1-amine
SMILESCCCCC(CC)COCCCN
InChIInChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3
InChIKeyDVFGEIYOLIFSRX-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds9

About 3-(2-ethylhexoxy)propan-1-amine

3-(2-ethylhexoxy)propan-1-amine (PubChem CID 21499) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-(2-ethylhexoxy)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethylhexoxy)propan-1-amine
PubChem CID21499
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-(2-ethylhexoxy)propan-1-amine
SMILESCCCCC(CC)COCCCN
InChIInChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3
InChIKeyDVFGEIYOLIFSRX-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.57
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)propan-1-amine?
The IUPAC name of 3-(2-ethylhexoxy)propan-1-amine (CID 21499) is 3-(2-ethylhexoxy)propan-1-amine.
What is the SMILES notation for 3-(2-ethylhexoxy)propan-1-amine?
The canonical SMILES for 3-(2-ethylhexoxy)propan-1-amine is CCCCC(CC)COCCCN.
What is the InChIKey of 3-(2-ethylhexoxy)propan-1-amine?
The InChIKey is DVFGEIYOLIFSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3.
What are the key properties of 3-(2-ethylhexoxy)propan-1-amine?
3-(2-ethylhexoxy)propan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexoxy)propan-1-amine is sourced from PubChem (CID 21499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).