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

C5H14N2O — CID 137349072

IUPAC2-[[(2S)-2-aminopropyl]amino]ethanol
SMILESC[C@H](N)CNCCO
InChIInChI=1S/C5H14N2O/c1-5(6)4-7-2-3-8/h5,7-8H,2-4,6H2,1H3/t5-/m0/s1
InChIKeyXALTWITXELVMHP-YFKPBYRVSA-N
MW118.18 g/mol
LogP-1.08
Rot. Bonds4

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

2-[[(2S)-2-aminopropyl]amino]ethanol (PubChem CID 137349072) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopropyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2S)-2-aminopropyl]amino]ethanol
PubChem CID137349072
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name2-[[(2S)-2-aminopropyl]amino]ethanol
SMILESC[C@H](N)CNCCO
InChIInChI=1S/C5H14N2O/c1-5(6)4-7-2-3-8/h5,7-8H,2-4,6H2,1H3/t5-/m0/s1
InChIKeyXALTWITXELVMHP-YFKPBYRVSA-N
XLogP-1.08
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
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-[[(2S)-2-aminopropyl]amino]ethanol?
The IUPAC name of 2-[[(2S)-2-aminopropyl]amino]ethanol (CID 137349072) is 2-[[(2S)-2-aminopropyl]amino]ethanol.
What is the SMILES notation for 2-[[(2S)-2-aminopropyl]amino]ethanol?
The canonical SMILES for 2-[[(2S)-2-aminopropyl]amino]ethanol is C[C@H](N)CNCCO.
What is the InChIKey of 2-[[(2S)-2-aminopropyl]amino]ethanol?
The InChIKey is XALTWITXELVMHP-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H14N2O/c1-5(6)4-7-2-3-8/h5,7-8H,2-4,6H2,1H3/t5-/m0/s1.
What are the key properties of 2-[[(2S)-2-aminopropyl]amino]ethanol?
2-[[(2S)-2-aminopropyl]amino]ethanol has a molecular weight of 118.18 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopropyl]amino]ethanol is sourced from PubChem (CID 137349072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).