4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine

C12H23NO — CID 103283983

IUPAC4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESCCCC(C)COCC1=CCNCC1
InChIInChI=1S/C12H23NO/c1-3-4-11(2)9-14-10-12-5-7-13-8-6-12/h5,11,13H,3-4,6-10H2,1-2H3
InChIKeyGEWVBCBGKMUURP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds6

About 4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine

4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 103283983) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID103283983
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESCCCC(C)COCC1=CCNCC1
InChIInChI=1S/C12H23NO/c1-3-4-11(2)9-14-10-12-5-7-13-8-6-12/h5,11,13H,3-4,6-10H2,1-2H3
InChIKeyGEWVBCBGKMUURP-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716602
4-[2-(2-methoxyethoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404651
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentan-2-amine
CID 107886855
1-iodo-4-(2-methylpentoxymethyl)benzene
CID 103284629
1-(chloromethoxy)-2-methylpentane
CID 55302796
4-[(2-ethylphenoxy)methyl]-1,2,3,6-tetrahydropyridine
CID 114404556
3-(2-methylpentoxymethyl)piperidine
CID 62339734
4-[(2R)-butan-2-yl]-1,2,3,6-tetrahydropyridine
CID 89108916
N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine
CID 103285638
2-(2-methylpentoxy)ethanamine
CID 62343431
5-(2-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine
CID 103285305
N-[2-[2-(2-methylpentoxymethyl)phenyl]ethyl]propan-2-amine
CID 103285683

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine (CID 103283983) is 4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine is CCCC(C)COCC1=CCNCC1.
What is the InChIKey of 4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is GEWVBCBGKMUURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-11(2)9-14-10-12-5-7-13-8-6-12/h5,11,13H,3-4,6-10H2,1-2H3.
What are the key properties of 4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine?
4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentoxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 103283983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).