3-(2-aminoethylamino)propan-1-ol

C5H14N2O — CID 10973740

IUPAC3-(2-aminoethylamino)propan-1-ol
SMILESNCCNCCCO
InChIInChI=1S/C5H14N2O/c6-2-4-7-3-1-5-8/h7-8H,1-6H2
InChIKeyKTLIZDDPOZZHCD-UHFFFAOYSA-N
MW118.18 g/mol
LogP-1.08
Rot. Bonds5

About 3-(2-aminoethylamino)propan-1-ol

3-(2-aminoethylamino)propan-1-ol (PubChem CID 10973740) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 3-(2-aminoethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-aminoethylamino)propan-1-ol
PubChem CID10973740
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name3-(2-aminoethylamino)propan-1-ol
SMILESNCCNCCCO
InChIInChI=1S/C5H14N2O/c6-2-4-7-3-1-5-8/h7-8H,1-6H2
InChIKeyKTLIZDDPOZZHCD-UHFFFAOYSA-N
XLogP-1.08
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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 3-(2-aminoethylamino)propan-1-ol?
The IUPAC name of 3-(2-aminoethylamino)propan-1-ol (CID 10973740) is 3-(2-aminoethylamino)propan-1-ol.
What is the SMILES notation for 3-(2-aminoethylamino)propan-1-ol?
The canonical SMILES for 3-(2-aminoethylamino)propan-1-ol is NCCNCCCO.
What is the InChIKey of 3-(2-aminoethylamino)propan-1-ol?
The InChIKey is KTLIZDDPOZZHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c6-2-4-7-3-1-5-8/h7-8H,1-6H2.
What are the key properties of 3-(2-aminoethylamino)propan-1-ol?
3-(2-aminoethylamino)propan-1-ol has a molecular weight of 118.18 g/mol, XLogP of -1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)propan-1-ol is sourced from PubChem (CID 10973740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).