3,3-diethyl-5-propoxypentan-1-amine

C12H27NO — CID 89303093

IUPAC3,3-diethyl-5-propoxypentan-1-amine
SMILESCCCOCCC(CC)(CC)CCN
InChIInChI=1S/C12H27NO/c1-4-10-14-11-8-12(5-2,6-3)7-9-13/h4-11,13H2,1-3H3
InChIKeyOMLVQLTXEGDJLX-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds9

About 3,3-diethyl-5-propoxypentan-1-amine

3,3-diethyl-5-propoxypentan-1-amine (PubChem CID 89303093) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3,3-diethyl-5-propoxypentan-1-amine.

Molecular Properties

Compound Name3,3-diethyl-5-propoxypentan-1-amine
PubChem CID89303093
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3,3-diethyl-5-propoxypentan-1-amine
SMILESCCCOCCC(CC)(CC)CCN
InChIInChI=1S/C12H27NO/c1-4-10-14-11-8-12(5-2,6-3)7-9-13/h4-11,13H2,1-3H3
InChIKeyOMLVQLTXEGDJLX-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.96
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 3,3-diethyl-5-propoxypentan-1-amine?
The IUPAC name of 3,3-diethyl-5-propoxypentan-1-amine (CID 89303093) is 3,3-diethyl-5-propoxypentan-1-amine.
What is the SMILES notation for 3,3-diethyl-5-propoxypentan-1-amine?
The canonical SMILES for 3,3-diethyl-5-propoxypentan-1-amine is CCCOCCC(CC)(CC)CCN.
What is the InChIKey of 3,3-diethyl-5-propoxypentan-1-amine?
The InChIKey is OMLVQLTXEGDJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-10-14-11-8-12(5-2,6-3)7-9-13/h4-11,13H2,1-3H3.
What are the key properties of 3,3-diethyl-5-propoxypentan-1-amine?
3,3-diethyl-5-propoxypentan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-5-propoxypentan-1-amine is sourced from PubChem (CID 89303093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).