1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine

C14H23NO — CID 91248384

IUPAC1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine
SMILESCCCC=CC1=CN(C)CC(OC(C)C)=C1
InChIInChI=1S/C14H23NO/c1-5-6-7-8-13-9-14(16-12(2)3)11-15(4)10-13/h7-10,12H,5-6,11H2,1-4H3
InChIKeyXNXCIXXQRGLRMA-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.48
Rot. Bonds5

About 1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine

1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine (PubChem CID 91248384) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine
PubChem CID91248384
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine
SMILESCCCC=CC1=CN(C)CC(OC(C)C)=C1
InChIInChI=1S/C14H23NO/c1-5-6-7-8-13-9-14(16-12(2)3)11-15(4)10-13/h7-10,12H,5-6,11H2,1-4H3
InChIKeyXNXCIXXQRGLRMA-UHFFFAOYSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine
CID 20690184
(E)-5-(3-methoxy-1-methyl-2H-pyridin-5-yl)pent-4-en-2-ol
CID 22060170
3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine
CID 54065066
5-(3-methoxy-1-methyl-2H-pyridin-5-yl)pent-4-en-2-ol
CID 54228043
4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine
CID 57268510
4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 57283088
(E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine
CID 67414693
5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine
CID 67602404
(E)-4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 68755854
5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine
CID 68757725
(E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine
CID 69349635
(E)-4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine
CID 70255677

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine?
The IUPAC name of 1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine (CID 91248384) is 1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine.
What is the SMILES notation for 1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine?
The canonical SMILES for 1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine is CCCC=CC1=CN(C)CC(OC(C)C)=C1.
What is the InChIKey of 1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine?
The InChIKey is XNXCIXXQRGLRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-6-7-8-13-9-14(16-12(2)3)11-15(4)10-13/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine?
1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine has a molecular weight of 221.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine is sourced from PubChem (CID 91248384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).