(2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine

C11H23N — CID 130426335

IUPAC(2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine
SMILESC=C(C)C[C@H](CC)[C@@H](C)CNC
InChIInChI=1S/C11H23N/c1-6-11(7-9(2)3)10(4)8-12-5/h10-12H,2,6-8H2,1,3-5H3/t10-,11-/m0/s1
InChIKeyGUUXNXBPQVGAGR-QWRGUYRKSA-N
MW169.31 g/mol
LogP2.83
Rot. Bonds6

About (2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine

(2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine (PubChem CID 130426335) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine.

Molecular Properties

Compound Name(2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine
PubChem CID130426335
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine
SMILESC=C(C)C[C@H](CC)[C@@H](C)CNC
InChIInChI=1S/C11H23N/c1-6-11(7-9(2)3)10(4)8-12-5/h10-12H,2,6-8H2,1,3-5H3/t10-,11-/m0/s1
InChIKeyGUUXNXBPQVGAGR-QWRGUYRKSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine?
The IUPAC name of (2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine (CID 130426335) is (2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine.
What is the SMILES notation for (2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine?
The canonical SMILES for (2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine is C=C(C)C[C@H](CC)[C@@H](C)CNC.
What is the InChIKey of (2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine?
The InChIKey is GUUXNXBPQVGAGR-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H23N/c1-6-11(7-9(2)3)10(4)8-12-5/h10-12H,2,6-8H2,1,3-5H3/t10-,11-/m0/s1.
What are the key properties of (2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine?
(2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-ethyl-N,2,5-trimethylhex-5-en-1-amine is sourced from PubChem (CID 130426335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).