2-(3-aminopropoxymethyl)-3-ethyloctan-1-amine

C14H32N2O — CID 54338803

IUPAC2-(3-aminopropoxymethyl)-3-ethyloctan-1-amine
SMILESCCCCCC(CC)C(CN)COCCCN
InChIInChI=1S/C14H32N2O/c1-3-5-6-8-13(4-2)14(11-16)12-17-10-7-9-15/h13-14H,3-12,15-16H2,1-2H3
InChIKeyTXLLIXSTJUOFAV-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.53
Rot. Bonds12

About 2-(3-aminopropoxymethyl)-3-ethyloctan-1-amine

2-(3-aminopropoxymethyl)-3-ethyloctan-1-amine (PubChem CID 54338803) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-(3-aminopropoxymethyl)-3-ethyloctan-1-amine.

Molecular Properties

Compound Name2-(3-aminopropoxymethyl)-3-ethyloctan-1-amine
PubChem CID54338803
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name2-(3-aminopropoxymethyl)-3-ethyloctan-1-amine
SMILESCCCCCC(CC)C(CN)COCCCN
InChIInChI=1S/C14H32N2O/c1-3-5-6-8-13(4-2)14(11-16)12-17-10-7-9-15/h13-14H,3-12,15-16H2,1-2H3
InChIKeyTXLLIXSTJUOFAV-UHFFFAOYSA-N
XLogP2.53
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(3-aminopropoxymethyl)-3-ethyloctan-1-amine?
The IUPAC name of 2-(3-aminopropoxymethyl)-3-ethyloctan-1-amine (CID 54338803) is 2-(3-aminopropoxymethyl)-3-ethyloctan-1-amine.
What is the SMILES notation for 2-(3-aminopropoxymethyl)-3-ethyloctan-1-amine?
The canonical SMILES for 2-(3-aminopropoxymethyl)-3-ethyloctan-1-amine is CCCCCC(CC)C(CN)COCCCN.
What is the InChIKey of 2-(3-aminopropoxymethyl)-3-ethyloctan-1-amine?
The InChIKey is TXLLIXSTJUOFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-3-5-6-8-13(4-2)14(11-16)12-17-10-7-9-15/h13-14H,3-12,15-16H2,1-2H3.
What are the key properties of 2-(3-aminopropoxymethyl)-3-ethyloctan-1-amine?
2-(3-aminopropoxymethyl)-3-ethyloctan-1-amine has a molecular weight of 244.42 g/mol, XLogP of 2.53, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxymethyl)-3-ethyloctan-1-amine is sourced from PubChem (CID 54338803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).