3-pentyl-4-propan-2-yloxypyridine

C13H21NO — CID 54537415

IUPAC3-pentyl-4-propan-2-yloxypyridine
SMILESCCCCCc1cnccc1OC(C)C
InChIInChI=1S/C13H21NO/c1-4-5-6-7-12-10-14-9-8-13(12)15-11(2)3/h8-11H,4-7H2,1-3H3
InChIKeyAUSRTWHVPOFRLO-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.60
Rot. Bonds6

About 3-pentyl-4-propan-2-yloxypyridine

3-pentyl-4-propan-2-yloxypyridine (PubChem CID 54537415) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-pentyl-4-propan-2-yloxypyridine.

Molecular Properties

Compound Name3-pentyl-4-propan-2-yloxypyridine
PubChem CID54537415
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-pentyl-4-propan-2-yloxypyridine
SMILESCCCCCc1cnccc1OC(C)C
InChIInChI=1S/C13H21NO/c1-4-5-6-7-12-10-14-9-8-13(12)15-11(2)3/h8-11H,4-7H2,1-3H3
InChIKeyAUSRTWHVPOFRLO-UHFFFAOYSA-N
XLogP3.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
CID 81254870
4-ethyl-3-propan-2-yloxypyridine
CID 123491232
3-methoxy-4-pentylpyridine
CID 170214218
4-heptyl-3-methylpyridine
CID 143666243
ethane;4-methoxy-3-propylpyridine
CID 176962232
4-pentyl-3-phenoxypyridine
CID 173046751
3-methoxy-4-propan-2-yloxypyridine
CID 167334924
3-dodecyl-4-ethenylpyridine
CID 23503907
3-heptyl-4-(trifluoromethyl)pyridine
CID 130384281
N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 81254076
(4-butyl-3-pyridinyl)methanol
CID 173058896
2-(3-pentyl-4-pyridinyl)phenol
CID 135745178

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-4-propan-2-yloxypyridine?
The IUPAC name of 3-pentyl-4-propan-2-yloxypyridine (CID 54537415) is 3-pentyl-4-propan-2-yloxypyridine.
What is the SMILES notation for 3-pentyl-4-propan-2-yloxypyridine?
The canonical SMILES for 3-pentyl-4-propan-2-yloxypyridine is CCCCCc1cnccc1OC(C)C.
What is the InChIKey of 3-pentyl-4-propan-2-yloxypyridine?
The InChIKey is AUSRTWHVPOFRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-5-6-7-12-10-14-9-8-13(12)15-11(2)3/h8-11H,4-7H2,1-3H3.
What are the key properties of 3-pentyl-4-propan-2-yloxypyridine?
3-pentyl-4-propan-2-yloxypyridine has a molecular weight of 207.32 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-4-propan-2-yloxypyridine is sourced from PubChem (CID 54537415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).