2-amino-3-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-1-ol

C9H19N3O2 — CID 126745829

IUPAC2-amino-3-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-1-ol
SMILESNCC1=CC[C@@H](NCC(N)CO)CO1
InChIInChI=1S/C9H19N3O2/c10-3-9-2-1-8(6-14-9)12-4-7(11)5-13/h2,7-8,12-13H,1,3-6,10-11H2/t7?,8-/m1/s1
InChIKeyXSDAZWWGJGJDEJ-BRFYHDHCSA-N
MW201.27 g/mol
LogP-1.47
Rot. Bonds5

About 2-amino-3-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-1-ol

2-amino-3-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-1-ol (PubChem CID 126745829) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-3-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-1-ol
PubChem CID126745829
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-amino-3-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-1-ol
SMILESNCC1=CC[C@@H](NCC(N)CO)CO1
InChIInChI=1S/C9H19N3O2/c10-3-9-2-1-8(6-14-9)12-4-7(11)5-13/h2,7-8,12-13H,1,3-6,10-11H2/t7?,8-/m1/s1
InChIKeyXSDAZWWGJGJDEJ-BRFYHDHCSA-N
XLogP-1.47
TPSA93.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-1-ol?
The IUPAC name of 2-amino-3-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-1-ol (CID 126745829) is 2-amino-3-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-1-ol?
The canonical SMILES for 2-amino-3-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-1-ol is NCC1=CC[C@@H](NCC(N)CO)CO1.
What is the InChIKey of 2-amino-3-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-1-ol?
The InChIKey is XSDAZWWGJGJDEJ-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-3-9-2-1-8(6-14-9)12-4-7(11)5-13/h2,7-8,12-13H,1,3-6,10-11H2/t7?,8-/m1/s1.
What are the key properties of 2-amino-3-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-1-ol?
2-amino-3-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-1-ol has a molecular weight of 201.27 g/mol, XLogP of -1.47, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]propan-1-ol is sourced from PubChem (CID 126745829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).