3-[(1S)-1-propan-2-yloxyethyl]pyridine

C10H15NO — CID 134380003

IUPAC3-[(1S)-1-propan-2-yloxyethyl]pyridine
SMILESCC(C)O[C@@H](C)c1cccnc1
InChIInChI=1S/C10H15NO/c1-8(2)12-9(3)10-5-4-6-11-7-10/h4-9H,1-3H3/t9-/m0/s1
InChIKeyHQVMODFOWZSSMK-VIFPVBQESA-N
MW165.24 g/mol
LogP2.57
Rot. Bonds3

About 3-[(1S)-1-propan-2-yloxyethyl]pyridine

3-[(1S)-1-propan-2-yloxyethyl]pyridine (PubChem CID 134380003) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-[(1S)-1-propan-2-yloxyethyl]pyridine.

Molecular Properties

Compound Name3-[(1S)-1-propan-2-yloxyethyl]pyridine
PubChem CID134380003
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-[(1S)-1-propan-2-yloxyethyl]pyridine
SMILESCC(C)O[C@@H](C)c1cccnc1
InChIInChI=1S/C10H15NO/c1-8(2)12-9(3)10-5-4-6-11-7-10/h4-9H,1-3H3/t9-/m0/s1
InChIKeyHQVMODFOWZSSMK-VIFPVBQESA-N
XLogP2.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-3-ylethyl sulfite
CID 174501861
3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine
CID 134383107
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
3-[(1S)-1-chloroethyl]pyridine;hydrochloride
CID 171991541
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
3-(1-pyridin-3-ylethoxy)aniline
CID 82036967
1-pyridin-3-ylethyl trifluoromethanesulfonate
CID 102621653
3-(3,3-dimethylbutan-2-yl)pyridine
CID 59751404
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-propan-2-yloxyethyl]pyridine?
The IUPAC name of 3-[(1S)-1-propan-2-yloxyethyl]pyridine (CID 134380003) is 3-[(1S)-1-propan-2-yloxyethyl]pyridine.
What is the SMILES notation for 3-[(1S)-1-propan-2-yloxyethyl]pyridine?
The canonical SMILES for 3-[(1S)-1-propan-2-yloxyethyl]pyridine is CC(C)O[C@@H](C)c1cccnc1.
What is the InChIKey of 3-[(1S)-1-propan-2-yloxyethyl]pyridine?
The InChIKey is HQVMODFOWZSSMK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)12-9(3)10-5-4-6-11-7-10/h4-9H,1-3H3/t9-/m0/s1.
What are the key properties of 3-[(1S)-1-propan-2-yloxyethyl]pyridine?
3-[(1S)-1-propan-2-yloxyethyl]pyridine has a molecular weight of 165.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-propan-2-yloxyethyl]pyridine is sourced from PubChem (CID 134380003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).