2-[[(2S)-2-aminopropyl]-methylamino]ethanol

C6H16N2O — CID 45087524

IUPAC2-[[(2S)-2-aminopropyl]-methylamino]ethanol
SMILESC[C@H](N)CN(C)CCO
InChIInChI=1S/C6H16N2O/c1-6(7)5-8(2)3-4-9/h6,9H,3-5,7H2,1-2H3/t6-/m0/s1
InChIKeyRVKPNBCSECRBTR-LURJTMIESA-N
MW132.21 g/mol
LogP-0.74
Rot. Bonds4

About 2-[[(2S)-2-aminopropyl]-methylamino]ethanol

2-[[(2S)-2-aminopropyl]-methylamino]ethanol (PubChem CID 45087524) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopropyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(2S)-2-aminopropyl]-methylamino]ethanol
PubChem CID45087524
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name2-[[(2S)-2-aminopropyl]-methylamino]ethanol
SMILESC[C@H](N)CN(C)CCO
InChIInChI=1S/C6H16N2O/c1-6(7)5-8(2)3-4-9/h6,9H,3-5,7H2,1-2H3/t6-/m0/s1
InChIKeyRVKPNBCSECRBTR-LURJTMIESA-N
XLogP-0.74
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopropyl]-methylamino]ethanol?
The IUPAC name of 2-[[(2S)-2-aminopropyl]-methylamino]ethanol (CID 45087524) is 2-[[(2S)-2-aminopropyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[(2S)-2-aminopropyl]-methylamino]ethanol?
The canonical SMILES for 2-[[(2S)-2-aminopropyl]-methylamino]ethanol is C[C@H](N)CN(C)CCO.
What is the InChIKey of 2-[[(2S)-2-aminopropyl]-methylamino]ethanol?
The InChIKey is RVKPNBCSECRBTR-LURJTMIESA-N. The full InChI is InChI=1S/C6H16N2O/c1-6(7)5-8(2)3-4-9/h6,9H,3-5,7H2,1-2H3/t6-/m0/s1.
What are the key properties of 2-[[(2S)-2-aminopropyl]-methylamino]ethanol?
2-[[(2S)-2-aminopropyl]-methylamino]ethanol has a molecular weight of 132.21 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopropyl]-methylamino]ethanol is sourced from PubChem (CID 45087524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).