(1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol

C13H22N2O — CID 124502181

IUPAC(1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1cnc(NC(C)(C)C)cc1C
InChIInChI=1S/C13H22N2O/c1-6-11(16)10-8-14-12(7-9(10)2)15-13(3,4)5/h7-8,11,16H,6H2,1-5H3,(H,14,15)/t11-/m0/s1
InChIKeyLGUGDIWKFAJMCQ-NSHDSACASA-N
MW222.33 g/mol
LogP3.04
Rot. Bonds3

About (1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol

(1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol (PubChem CID 124502181) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol
PubChem CID124502181
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1cnc(NC(C)(C)C)cc1C
InChIInChI=1S/C13H22N2O/c1-6-11(16)10-8-14-12(7-9(10)2)15-13(3,4)5/h7-8,11,16H,6H2,1-5H3,(H,14,15)/t11-/m0/s1
InChIKeyLGUGDIWKFAJMCQ-NSHDSACASA-N
XLogP3.04
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine
CID 124502187
N-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 102545875
(1R)-1-[6-[ethyl(methyl)amino]-4-methyl-3-pyridinyl]propan-1-ol
CID 124501820
(1R)-1-[6-(dipropylamino)-4-methyl-3-pyridinyl]propan-1-ol
CID 124501845
5-[(1S)-1-aminopropyl]-4-methyl-N-propylpyridin-2-amine
CID 124501813
1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol
CID 102545043
5-(1-aminopropyl)-4-methyl-N-propylpyridin-2-amine
CID 102545297
(1R)-1-[4-methyl-6-(methylamino)-3-pyridinyl]ethanol
CID 124501728
1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol
CID 114869387
N-tert-butyl-4,5-difluoropyridin-2-amine
CID 138648802
[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol
CID 102545295
(S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol
CID 124501809

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol (CID 124502181) is (1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol is CC[C@H](O)c1cnc(NC(C)(C)C)cc1C.
What is the InChIKey of (1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol?
The InChIKey is LGUGDIWKFAJMCQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O/c1-6-11(16)10-8-14-12(7-9(10)2)15-13(3,4)5/h7-8,11,16H,6H2,1-5H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol?
(1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 124502181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).