6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol

C11H18N2O — CID 130715071

IUPAC6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol
SMILESCC(C)(C)C[C@H](N)c1ccc(O)cn1
InChIInChI=1S/C11H18N2O/c1-11(2,3)6-9(12)10-5-4-8(14)7-13-10/h4-5,7,9,14H,6,12H2,1-3H3/t9-/m0/s1
InChIKeyLZUUDPLOKOFIRM-VIFPVBQESA-N
MW194.28 g/mol
LogP2.22
Rot. Bonds2

About 6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol

6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol (PubChem CID 130715071) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol
PubChem CID130715071
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol
SMILESCC(C)(C)C[C@H](N)c1ccc(O)cn1
InChIInChI=1S/C11H18N2O/c1-11(2,3)6-9(12)10-5-4-8(14)7-13-10/h4-5,7,9,14H,6,12H2,1-3H3/t9-/m0/s1
InChIKeyLZUUDPLOKOFIRM-VIFPVBQESA-N
XLogP2.22
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1R)-1-aminopropyl]pyridin-3-ol
CID 55276418
6-[(1R)-1,2-diaminoethyl]pyridin-3-ol
CID 55274421
6-[(1S)-1-amino-2-methoxyethyl]pyridin-3-ol
CID 55293682
(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine
CID 99737676
methyl (3R)-3-amino-3-(5-hydroxy-2-pyridinyl)propanoate
CID 55276746
6-(1-amino-2-methylpropyl)pyridin-3-ol
CID 55294242
(1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine
CID 130039914
6-(difluoromethyl)pyridin-3-ol
CID 56956232
(1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 99737673
4-[(2R)-2-amino-4,4-dimethylpentyl]phenol
CID 96616484
4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol
CID 151615052
6-(1-aminopropyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-3-amine
CID 112584377

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol?
The IUPAC name of 6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol (CID 130715071) is 6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol.
What is the SMILES notation for 6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol?
The canonical SMILES for 6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol is CC(C)(C)C[C@H](N)c1ccc(O)cn1.
What is the InChIKey of 6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol?
The InChIKey is LZUUDPLOKOFIRM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)6-9(12)10-5-4-8(14)7-13-10/h4-5,7,9,14H,6,12H2,1-3H3/t9-/m0/s1.
What are the key properties of 6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol?
6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol has a molecular weight of 194.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol is sourced from PubChem (CID 130715071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).