2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol

C12H21N3O — CID 104863989

IUPAC2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
SMILESC[C@H](N)c1ccc(N(C)C(C)(C)CO)nc1
InChIInChI=1S/C12H21N3O/c1-9(13)10-5-6-11(14-7-10)15(4)12(2,3)8-16/h5-7,9,16H,8,13H2,1-4H3/t9-/m0/s1
InChIKeyLZMSGPWGDHJOOO-VIFPVBQESA-N
MW223.32 g/mol
LogP1.31
Rot. Bonds4

About 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol

2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol (PubChem CID 104863989) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
PubChem CID104863989
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
SMILESC[C@H](N)c1ccc(N(C)C(C)(C)CO)nc1
InChIInChI=1S/C12H21N3O/c1-9(13)10-5-6-11(14-7-10)15(4)12(2,3)8-16/h5-7,9,16H,8,13H2,1-4H3/t9-/m0/s1
InChIKeyLZMSGPWGDHJOOO-VIFPVBQESA-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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Related Compounds

2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
CID 104864024
2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
CID 104863980
2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol
CID 104552403
2-[(5-methoxy-2-pyridinyl)-methylamino]-2-methylpropan-1-ol
CID 106504679
2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol
CID 104869537
(1R)-1-(6-ethyl-3-pyridinyl)ethanamine
CID 124547255
5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine
CID 104869689
2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol
CID 113475785
5-(1-aminopropan-2-yl)-N,N-dimethylpyridin-2-amine
CID 82654185
1-(6-bromo-3-pyridinyl)ethanamine;2-methylpropane-2-thiol
CID 166535430
6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylpyridazine-3-carboxamide
CID 113476224
1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine
CID 79680323

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol (CID 104863989) is 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol is C[C@H](N)c1ccc(N(C)C(C)(C)CO)nc1.
What is the InChIKey of 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol?
The InChIKey is LZMSGPWGDHJOOO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(13)10-5-6-11(14-7-10)15(4)12(2,3)8-16/h5-7,9,16H,8,13H2,1-4H3/t9-/m0/s1.
What are the key properties of 2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol?
2-[[5-[(1S)-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-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 104863989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).