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

C7H20N4O — CID 5219727

IUPAC1,3-bis(2-aminoethylamino)propan-2-ol
SMILESNCCNCC(O)CNCCN
InChIInChI=1S/C7H20N4O/c8-1-3-10-5-7(12)6-11-4-2-9/h7,10-12H,1-6,8-9H2
InChIKeyDTTYDTDZOPLNBW-UHFFFAOYSA-N
MW176.26 g/mol
LogP-2.56
Rot. Bonds8

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

1,3-bis(2-aminoethylamino)propan-2-ol (PubChem CID 5219727) has the molecular formula C7H20N4O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,3-bis(2-aminoethylamino)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(2-aminoethylamino)propan-2-ol
PubChem CID5219727
Molecular FormulaC7H20N4O
Molecular Weight176.26 g/mol
Exact Mass176.16
IUPAC Name1,3-bis(2-aminoethylamino)propan-2-ol
SMILESNCCNCC(O)CNCCN
InChIInChI=1S/C7H20N4O/c8-1-3-10-5-7(12)6-11-4-2-9/h7,10-12H,1-6,8-9H2
InChIKeyDTTYDTDZOPLNBW-UHFFFAOYSA-N
XLogP-2.56
TPSA96.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-2.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 1,3-bis(2-aminoethylamino)propan-2-ol?
The IUPAC name of 1,3-bis(2-aminoethylamino)propan-2-ol (CID 5219727) is 1,3-bis(2-aminoethylamino)propan-2-ol.
What is the SMILES notation for 1,3-bis(2-aminoethylamino)propan-2-ol?
The canonical SMILES for 1,3-bis(2-aminoethylamino)propan-2-ol is NCCNCC(O)CNCCN.
What is the InChIKey of 1,3-bis(2-aminoethylamino)propan-2-ol?
The InChIKey is DTTYDTDZOPLNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20N4O/c8-1-3-10-5-7(12)6-11-4-2-9/h7,10-12H,1-6,8-9H2.
What are the key properties of 1,3-bis(2-aminoethylamino)propan-2-ol?
1,3-bis(2-aminoethylamino)propan-2-ol has a molecular weight of 176.26 g/mol, XLogP of -2.56, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-aminoethylamino)propan-2-ol is sourced from PubChem (CID 5219727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).