(5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine

C9H19NO — CID 157178644

IUPAC(5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine
SMILESCCNC1C(C)O[C@@H](C)C1C
InChIInChI=1S/C9H19NO/c1-5-10-9-6(2)7(3)11-8(9)4/h6-10H,5H2,1-4H3/t6?,7-,8?,9?/m0/s1
InChIKeyAOHVVAIDNQGYDC-GIDQEGPBSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds2

About (5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine

(5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine (PubChem CID 157178644) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine.

Molecular Properties

Compound Name(5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine
PubChem CID157178644
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine
SMILESCCNC1C(C)O[C@@H](C)C1C
InChIInChI=1S/C9H19NO/c1-5-10-9-6(2)7(3)11-8(9)4/h6-10H,5H2,1-4H3/t6?,7-,8?,9?/m0/s1
InChIKeyAOHVVAIDNQGYDC-GIDQEGPBSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine?
The IUPAC name of (5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine (CID 157178644) is (5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine.
What is the SMILES notation for (5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine?
The canonical SMILES for (5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine is CCNC1C(C)O[C@@H](C)C1C.
What is the InChIKey of (5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine?
The InChIKey is AOHVVAIDNQGYDC-GIDQEGPBSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-10-9-6(2)7(3)11-8(9)4/h6-10H,5H2,1-4H3/t6?,7-,8?,9?/m0/s1.
What are the key properties of (5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine?
(5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-ethyl-2,4,5-trimethyloxolan-3-amine is sourced from PubChem (CID 157178644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).