(2R)-1-amino-3-(4-aminobutylamino)propan-2-ol

C7H19N3O — CID 156583245

IUPAC(2R)-1-amino-3-(4-aminobutylamino)propan-2-ol
SMILESNCCCCNC[C@H](O)CN
InChIInChI=1S/C7H19N3O/c8-3-1-2-4-10-6-7(11)5-9/h7,10-11H,1-6,8-9H2/t7-/m1/s1
InChIKeyHAKJMYNPWUJPQO-SSDOTTSWSA-N
MW161.25 g/mol
LogP-1.37
Rot. Bonds7

About (2R)-1-amino-3-(4-aminobutylamino)propan-2-ol

(2R)-1-amino-3-(4-aminobutylamino)propan-2-ol (PubChem CID 156583245) has the molecular formula C7H19N3O and a molecular weight of 161.25 g/mol. Its IUPAC name is (2R)-1-amino-3-(4-aminobutylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-3-(4-aminobutylamino)propan-2-ol
PubChem CID156583245
Molecular FormulaC7H19N3O
Molecular Weight161.25 g/mol
Exact Mass161.15
IUPAC Name(2R)-1-amino-3-(4-aminobutylamino)propan-2-ol
SMILESNCCCCNC[C@H](O)CN
InChIInChI=1S/C7H19N3O/c8-3-1-2-4-10-6-7(11)5-9/h7,10-11H,1-6,8-9H2/t7-/m1/s1
InChIKeyHAKJMYNPWUJPQO-SSDOTTSWSA-N
XLogP-1.37
TPSA84.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (2R)-1-amino-3-(4-aminobutylamino)propan-2-ol?
The IUPAC name of (2R)-1-amino-3-(4-aminobutylamino)propan-2-ol (CID 156583245) is (2R)-1-amino-3-(4-aminobutylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-amino-3-(4-aminobutylamino)propan-2-ol?
The canonical SMILES for (2R)-1-amino-3-(4-aminobutylamino)propan-2-ol is NCCCCNC[C@H](O)CN.
What is the InChIKey of (2R)-1-amino-3-(4-aminobutylamino)propan-2-ol?
The InChIKey is HAKJMYNPWUJPQO-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H19N3O/c8-3-1-2-4-10-6-7(11)5-9/h7,10-11H,1-6,8-9H2/t7-/m1/s1.
What are the key properties of (2R)-1-amino-3-(4-aminobutylamino)propan-2-ol?
(2R)-1-amino-3-(4-aminobutylamino)propan-2-ol has a molecular weight of 161.25 g/mol, XLogP of -1.37, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-(4-aminobutylamino)propan-2-ol is sourced from PubChem (CID 156583245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).