(2R)-2-amino-3-(propan-2-ylamino)propan-1-ol

C6H16N2O — CID 58660094

IUPAC(2R)-2-amino-3-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC[C@@H](N)CO
InChIInChI=1S/C6H16N2O/c1-5(2)8-3-6(7)4-9/h5-6,8-9H,3-4,7H2,1-2H3/t6-/m1/s1
InChIKeyXXJMBAHRZQKRTL-ZCFIWIBFSA-N
MW132.21 g/mol
LogP-0.70
Rot. Bonds4

About (2R)-2-amino-3-(propan-2-ylamino)propan-1-ol

(2R)-2-amino-3-(propan-2-ylamino)propan-1-ol (PubChem CID 58660094) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is (2R)-2-amino-3-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-(propan-2-ylamino)propan-1-ol
PubChem CID58660094
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name(2R)-2-amino-3-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC[C@@H](N)CO
InChIInChI=1S/C6H16N2O/c1-5(2)8-3-6(7)4-9/h5-6,8-9H,3-4,7H2,1-2H3/t6-/m1/s1
InChIKeyXXJMBAHRZQKRTL-ZCFIWIBFSA-N
XLogP-0.70
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(propan-2-ylamino)propan-1-ol?
The IUPAC name of (2R)-2-amino-3-(propan-2-ylamino)propan-1-ol (CID 58660094) is (2R)-2-amino-3-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-(propan-2-ylamino)propan-1-ol is CC(C)NC[C@@H](N)CO.
What is the InChIKey of (2R)-2-amino-3-(propan-2-ylamino)propan-1-ol?
The InChIKey is XXJMBAHRZQKRTL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H16N2O/c1-5(2)8-3-6(7)4-9/h5-6,8-9H,3-4,7H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-(propan-2-ylamino)propan-1-ol?
(2R)-2-amino-3-(propan-2-ylamino)propan-1-ol has a molecular weight of 132.21 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 58660094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).