3-[2-(diethylamino)ethoxymethyl]pentan-3-amine

C12H28N2O — CID 64571654

IUPAC3-[2-(diethylamino)ethoxymethyl]pentan-3-amine
SMILESCCN(CC)CCOCC(N)(CC)CC
InChIInChI=1S/C12H28N2O/c1-5-12(13,6-2)11-15-10-9-14(7-3)8-4/h5-11,13H2,1-4H3
InChIKeySRMMKYPMUQCVEW-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.86
Rot. Bonds9

About 3-[2-(diethylamino)ethoxymethyl]pentan-3-amine

3-[2-(diethylamino)ethoxymethyl]pentan-3-amine (PubChem CID 64571654) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethoxymethyl]pentan-3-amine.

Molecular Properties

Compound Name3-[2-(diethylamino)ethoxymethyl]pentan-3-amine
PubChem CID64571654
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-[2-(diethylamino)ethoxymethyl]pentan-3-amine
SMILESCCN(CC)CCOCC(N)(CC)CC
InChIInChI=1S/C12H28N2O/c1-5-12(13,6-2)11-15-10-9-14(7-3)8-4/h5-11,13H2,1-4H3
InChIKeySRMMKYPMUQCVEW-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
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 3-[2-(diethylamino)ethoxymethyl]pentan-3-amine?
The IUPAC name of 3-[2-(diethylamino)ethoxymethyl]pentan-3-amine (CID 64571654) is 3-[2-(diethylamino)ethoxymethyl]pentan-3-amine.
What is the SMILES notation for 3-[2-(diethylamino)ethoxymethyl]pentan-3-amine?
The canonical SMILES for 3-[2-(diethylamino)ethoxymethyl]pentan-3-amine is CCN(CC)CCOCC(N)(CC)CC.
What is the InChIKey of 3-[2-(diethylamino)ethoxymethyl]pentan-3-amine?
The InChIKey is SRMMKYPMUQCVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-12(13,6-2)11-15-10-9-14(7-3)8-4/h5-11,13H2,1-4H3.
What are the key properties of 3-[2-(diethylamino)ethoxymethyl]pentan-3-amine?
3-[2-(diethylamino)ethoxymethyl]pentan-3-amine has a molecular weight of 216.37 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethoxymethyl]pentan-3-amine is sourced from PubChem (CID 64571654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).