(1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen

C6H18N2O — CID 144534942

IUPAC(1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen
SMILESCC[C@@H](O)N(C)CCN.[H][H]
InChIInChI=1S/C6H16N2O.H2/c1-3-6(9)8(2)5-4-7;/h6,9H,3-5,7H2,1-2H3;1H/t6-;/m1./s1
InChIKeyAVTNISZXBIKAOI-FYZOBXCZSA-N
MW134.22 g/mol
LogP-0.15
Rot. Bonds4

About (1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen

(1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen (PubChem CID 144534942) has the molecular formula C6H18N2O and a molecular weight of 134.22 g/mol. Its IUPAC name is (1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen.

Molecular Properties

Compound Name(1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen
PubChem CID144534942
Molecular FormulaC6H18N2O
Molecular Weight134.22 g/mol
Exact Mass134.14
IUPAC Name(1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen
SMILESCC[C@@H](O)N(C)CCN.[H][H]
InChIInChI=1S/C6H16N2O.H2/c1-3-6(9)8(2)5-4-7;/h6,9H,3-5,7H2,1-2H3;1H/t6-;/m1./s1
InChIKeyAVTNISZXBIKAOI-FYZOBXCZSA-N
XLogP-0.15
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen?
The IUPAC name of (1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen (CID 144534942) is (1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen.
What is the SMILES notation for (1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen?
The canonical SMILES for (1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen is CC[C@@H](O)N(C)CCN.[H][H].
What is the InChIKey of (1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen?
The InChIKey is AVTNISZXBIKAOI-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H16N2O.H2/c1-3-6(9)8(2)5-4-7;/h6,9H,3-5,7H2,1-2H3;1H/t6-;/m1./s1.
What are the key properties of (1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen?
(1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen has a molecular weight of 134.22 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-aminoethyl(methyl)amino]propan-1-ol;molecular hydrogen is sourced from PubChem (CID 144534942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).