2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol

C12H21N3O — CID 104863980

IUPAC2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
SMILESC[C@@H](N)c1ccnc(N(C)C(C)(C)CO)c1
InChIInChI=1S/C12H21N3O/c1-9(13)10-5-6-14-11(7-10)15(4)12(2,3)8-16/h5-7,9,16H,8,13H2,1-4H3/t9-/m1/s1
InChIKeyJIRURTHUUQDBLX-SECBINFHSA-N
MW223.32 g/mol
LogP1.31
Rot. Bonds4

About 2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol

2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol (PubChem CID 104863980) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
PubChem CID104863980
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
SMILESC[C@@H](N)c1ccnc(N(C)C(C)(C)CO)c1
InChIInChI=1S/C12H21N3O/c1-9(13)10-5-6-14-11(7-10)15(4)12(2,3)8-16/h5-7,9,16H,8,13H2,1-4H3/t9-/m1/s1
InChIKeyJIRURTHUUQDBLX-SECBINFHSA-N
XLogP1.31
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol (CID 104863980) is 2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol is C[C@@H](N)c1ccnc(N(C)C(C)(C)CO)c1.
What is the InChIKey of 2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol?
The InChIKey is JIRURTHUUQDBLX-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(13)10-5-6-14-11(7-10)15(4)12(2,3)8-16/h5-7,9,16H,8,13H2,1-4H3/t9-/m1/s1.
What are the key properties of 2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol?
2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 104863980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).