3-(2-ethylcyclohexyl)oxy-N-propylpropan-1-amine

C14H29NO — CID 62444922

IUPAC3-(2-ethylcyclohexyl)oxy-N-propylpropan-1-amine
SMILESCCCNCCCOC1CCCCC1CC
InChIInChI=1S/C14H29NO/c1-3-10-15-11-7-12-16-14-9-6-5-8-13(14)4-2/h13-15H,3-12H2,1-2H3
InChIKeyMSIOUXJCUHITOX-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds8

About 3-(2-ethylcyclohexyl)oxy-N-propylpropan-1-amine

3-(2-ethylcyclohexyl)oxy-N-propylpropan-1-amine (PubChem CID 62444922) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)oxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)oxy-N-propylpropan-1-amine
PubChem CID62444922
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-(2-ethylcyclohexyl)oxy-N-propylpropan-1-amine
SMILESCCCNCCCOC1CCCCC1CC
InChIInChI=1S/C14H29NO/c1-3-10-15-11-7-12-16-14-9-6-5-8-13(14)4-2/h13-15H,3-12H2,1-2H3
InChIKeyMSIOUXJCUHITOX-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
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-ethylcyclohexyl)oxy-N-propylpropan-1-amine?
The IUPAC name of 3-(2-ethylcyclohexyl)oxy-N-propylpropan-1-amine (CID 62444922) is 3-(2-ethylcyclohexyl)oxy-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2-ethylcyclohexyl)oxy-N-propylpropan-1-amine?
The canonical SMILES for 3-(2-ethylcyclohexyl)oxy-N-propylpropan-1-amine is CCCNCCCOC1CCCCC1CC.
What is the InChIKey of 3-(2-ethylcyclohexyl)oxy-N-propylpropan-1-amine?
The InChIKey is MSIOUXJCUHITOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-10-15-11-7-12-16-14-9-6-5-8-13(14)4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 3-(2-ethylcyclohexyl)oxy-N-propylpropan-1-amine?
3-(2-ethylcyclohexyl)oxy-N-propylpropan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)oxy-N-propylpropan-1-amine is sourced from PubChem (CID 62444922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).