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

C9H24N4O — CID 18689620

IUPAC1,3-bis(3-aminopropylamino)propan-2-ol
SMILESNCCCNCC(O)CNCCCN
InChIInChI=1S/C9H24N4O/c10-3-1-5-12-7-9(14)8-13-6-2-4-11/h9,12-14H,1-8,10-11H2
InChIKeyROTZRXFOIZUOFF-UHFFFAOYSA-N
MW204.32 g/mol
LogP-1.78
Rot. Bonds10

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

1,3-bis(3-aminopropylamino)propan-2-ol (PubChem CID 18689620) has the molecular formula C9H24N4O and a molecular weight of 204.32 g/mol. Its IUPAC name is 1,3-bis(3-aminopropylamino)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(3-aminopropylamino)propan-2-ol
PubChem CID18689620
Molecular FormulaC9H24N4O
Molecular Weight204.32 g/mol
Exact Mass204.20
IUPAC Name1,3-bis(3-aminopropylamino)propan-2-ol
SMILESNCCCNCC(O)CNCCCN
InChIInChI=1S/C9H24N4O/c10-3-1-5-12-7-9(14)8-13-6-2-4-11/h9,12-14H,1-8,10-11H2
InChIKeyROTZRXFOIZUOFF-UHFFFAOYSA-N
XLogP-1.78
TPSA96.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 5-1.78
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(3-aminopropylamino)propan-2-ol?
The IUPAC name of 1,3-bis(3-aminopropylamino)propan-2-ol (CID 18689620) is 1,3-bis(3-aminopropylamino)propan-2-ol.
What is the SMILES notation for 1,3-bis(3-aminopropylamino)propan-2-ol?
The canonical SMILES for 1,3-bis(3-aminopropylamino)propan-2-ol is NCCCNCC(O)CNCCCN.
What is the InChIKey of 1,3-bis(3-aminopropylamino)propan-2-ol?
The InChIKey is ROTZRXFOIZUOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N4O/c10-3-1-5-12-7-9(14)8-13-6-2-4-11/h9,12-14H,1-8,10-11H2.
What are the key properties of 1,3-bis(3-aminopropylamino)propan-2-ol?
1,3-bis(3-aminopropylamino)propan-2-ol has a molecular weight of 204.32 g/mol, XLogP of -1.78, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-aminopropylamino)propan-2-ol is sourced from PubChem (CID 18689620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).