2-[[(4R)-4-methoxyheptyl]amino]ethanol

C10H23NO2 — CID 97035434

IUPAC2-[[(4R)-4-methoxyheptyl]amino]ethanol
SMILESCCC[C@H](CCCNCCO)OC
InChIInChI=1S/C10H23NO2/c1-3-5-10(13-2)6-4-7-11-8-9-12/h10-12H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyAKCODUDCPVZFLE-SNVBAGLBSA-N
MW189.30 g/mol
LogP1.16
Rot. Bonds9

About 2-[[(4R)-4-methoxyheptyl]amino]ethanol

2-[[(4R)-4-methoxyheptyl]amino]ethanol (PubChem CID 97035434) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-[[(4R)-4-methoxyheptyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(4R)-4-methoxyheptyl]amino]ethanol
PubChem CID97035434
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-[[(4R)-4-methoxyheptyl]amino]ethanol
SMILESCCC[C@H](CCCNCCO)OC
InChIInChI=1S/C10H23NO2/c1-3-5-10(13-2)6-4-7-11-8-9-12/h10-12H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyAKCODUDCPVZFLE-SNVBAGLBSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
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 2-[[(4R)-4-methoxyheptyl]amino]ethanol?
The IUPAC name of 2-[[(4R)-4-methoxyheptyl]amino]ethanol (CID 97035434) is 2-[[(4R)-4-methoxyheptyl]amino]ethanol.
What is the SMILES notation for 2-[[(4R)-4-methoxyheptyl]amino]ethanol?
The canonical SMILES for 2-[[(4R)-4-methoxyheptyl]amino]ethanol is CCC[C@H](CCCNCCO)OC.
What is the InChIKey of 2-[[(4R)-4-methoxyheptyl]amino]ethanol?
The InChIKey is AKCODUDCPVZFLE-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H23NO2/c1-3-5-10(13-2)6-4-7-11-8-9-12/h10-12H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[[(4R)-4-methoxyheptyl]amino]ethanol?
2-[[(4R)-4-methoxyheptyl]amino]ethanol has a molecular weight of 189.30 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-4-methoxyheptyl]amino]ethanol is sourced from PubChem (CID 97035434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).