5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine

C14H31NO — CID 91534836

IUPAC5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine
SMILESCCOC(C)(CC)CC(C)(CC)C(C)(C)N
InChIInChI=1S/C14H31NO/c1-8-13(6,12(4,5)15)11-14(7,9-2)16-10-3/h8-11,15H2,1-7H3
InChIKeyPZZTVYZAVBUNSA-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.74
Rot. Bonds7

About 5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine

5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine (PubChem CID 91534836) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine.

Molecular Properties

Compound Name5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine
PubChem CID91534836
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine
SMILESCCOC(C)(CC)CC(C)(CC)C(C)(C)N
InChIInChI=1S/C14H31NO/c1-8-13(6,12(4,5)15)11-14(7,9-2)16-10-3/h8-11,15H2,1-7H3
InChIKeyPZZTVYZAVBUNSA-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine?
The IUPAC name of 5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine (CID 91534836) is 5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine.
What is the SMILES notation for 5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine?
The canonical SMILES for 5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine is CCOC(C)(CC)CC(C)(CC)C(C)(C)N.
What is the InChIKey of 5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine?
The InChIKey is PZZTVYZAVBUNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-8-13(6,12(4,5)15)11-14(7,9-2)16-10-3/h8-11,15H2,1-7H3.
What are the key properties of 5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine?
5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine has a molecular weight of 229.41 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine is sourced from PubChem (CID 91534836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).