5-ethoxy-2-ethylpentan-1-amine

C9H21NO — CID 65180470

IUPAC5-ethoxy-2-ethylpentan-1-amine
SMILESCCOCCCC(CC)CN
InChIInChI=1S/C9H21NO/c1-3-9(8-10)6-5-7-11-4-2/h9H,3-8,10H2,1-2H3
InChIKeyYHCJICDISOFABN-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.79
Rot. Bonds7

About 5-ethoxy-2-ethylpentan-1-amine

5-ethoxy-2-ethylpentan-1-amine (PubChem CID 65180470) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 5-ethoxy-2-ethylpentan-1-amine.

Molecular Properties

Compound Name5-ethoxy-2-ethylpentan-1-amine
PubChem CID65180470
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name5-ethoxy-2-ethylpentan-1-amine
SMILESCCOCCCC(CC)CN
InChIInChI=1S/C9H21NO/c1-3-9(8-10)6-5-7-11-4-2/h9H,3-8,10H2,1-2H3
InChIKeyYHCJICDISOFABN-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.79
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 5-ethoxy-2-ethylpentan-1-amine?
The IUPAC name of 5-ethoxy-2-ethylpentan-1-amine (CID 65180470) is 5-ethoxy-2-ethylpentan-1-amine.
What is the SMILES notation for 5-ethoxy-2-ethylpentan-1-amine?
The canonical SMILES for 5-ethoxy-2-ethylpentan-1-amine is CCOCCCC(CC)CN.
What is the InChIKey of 5-ethoxy-2-ethylpentan-1-amine?
The InChIKey is YHCJICDISOFABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-3-9(8-10)6-5-7-11-4-2/h9H,3-8,10H2,1-2H3.
What are the key properties of 5-ethoxy-2-ethylpentan-1-amine?
5-ethoxy-2-ethylpentan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-ethylpentan-1-amine is sourced from PubChem (CID 65180470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).