(Z,3R)-4-ethoxyhex-4-en-3-amine

C8H17NO — CID 142810338

IUPAC(Z,3R)-4-ethoxyhex-4-en-3-amine
SMILESC/C=C(\OCC)[C@H](N)CC
InChIInChI=1S/C8H17NO/c1-4-7(9)8(5-2)10-6-3/h5,7H,4,6,9H2,1-3H3/b8-5-/t7-/m1/s1
InChIKeyMAABQHNUKBUZAM-BESBCXERSA-N
MW143.23 g/mol
LogP1.66
Rot. Bonds4

About (Z,3R)-4-ethoxyhex-4-en-3-amine

(Z,3R)-4-ethoxyhex-4-en-3-amine (PubChem CID 142810338) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (Z,3R)-4-ethoxyhex-4-en-3-amine.

Molecular Properties

Compound Name(Z,3R)-4-ethoxyhex-4-en-3-amine
PubChem CID142810338
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(Z,3R)-4-ethoxyhex-4-en-3-amine
SMILESC/C=C(\OCC)[C@H](N)CC
InChIInChI=1S/C8H17NO/c1-4-7(9)8(5-2)10-6-3/h5,7H,4,6,9H2,1-3H3/b8-5-/t7-/m1/s1
InChIKeyMAABQHNUKBUZAM-BESBCXERSA-N
XLogP1.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,3R)-4-ethoxyhex-4-en-3-amine?
The IUPAC name of (Z,3R)-4-ethoxyhex-4-en-3-amine (CID 142810338) is (Z,3R)-4-ethoxyhex-4-en-3-amine.
What is the SMILES notation for (Z,3R)-4-ethoxyhex-4-en-3-amine?
The canonical SMILES for (Z,3R)-4-ethoxyhex-4-en-3-amine is C/C=C(\OCC)[C@H](N)CC.
What is the InChIKey of (Z,3R)-4-ethoxyhex-4-en-3-amine?
The InChIKey is MAABQHNUKBUZAM-BESBCXERSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7(9)8(5-2)10-6-3/h5,7H,4,6,9H2,1-3H3/b8-5-/t7-/m1/s1.
What are the key properties of (Z,3R)-4-ethoxyhex-4-en-3-amine?
(Z,3R)-4-ethoxyhex-4-en-3-amine has a molecular weight of 143.23 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-4-ethoxyhex-4-en-3-amine is sourced from PubChem (CID 142810338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).