1-methyl-7-propyl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine

C15H25N — CID 158824409

IUPAC1-methyl-7-propyl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine
SMILESCCCC1CCCC2C(=CCN=C2C)CC1
InChIInChI=1S/C15H25N/c1-3-5-13-6-4-7-15-12(2)16-11-10-14(15)9-8-13/h10,13,15H,3-9,11H2,1-2H3
InChIKeyIWGVYAWFHYNUAV-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.38
Rot. Bonds2

About 1-methyl-7-propyl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine

1-methyl-7-propyl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine (PubChem CID 158824409) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-methyl-7-propyl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine.

Molecular Properties

Compound Name1-methyl-7-propyl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine
PubChem CID158824409
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-methyl-7-propyl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine
SMILESCCCC1CCCC2C(=CCN=C2C)CC1
InChIInChI=1S/C15H25N/c1-3-5-13-6-4-7-15-12(2)16-11-10-14(15)9-8-13/h10,13,15H,3-9,11H2,1-2H3
InChIKeyIWGVYAWFHYNUAV-UHFFFAOYSA-N
XLogP4.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
2,4,6-Tri(cyclooctyl)-2,5-dihydropyridine
CID 54201122
4-Cyclooctyl-2,5-dihydropyridine
CID 57059572
3-Cyclooctyl-2,5-dihydropyridine
CID 57316002
5-cyclohexyl-3-methyl-2H-pyrrole
CID 59087183
N,2,3-trimethylcyclohex-3-en-1-imine
CID 68029995
(5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine
CID 90785170
2-[(4-methylcyclohexyl)methyl]-N-(2-methylidenebutyl)cyclohex-2-en-1-imine
CID 91274350
N-methyl-4-propylcyclooct-2-en-1-imine
CID 91309615

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-propyl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine?
The IUPAC name of 1-methyl-7-propyl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine (CID 158824409) is 1-methyl-7-propyl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine.
What is the SMILES notation for 1-methyl-7-propyl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine?
The canonical SMILES for 1-methyl-7-propyl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine is CCCC1CCCC2C(=CCN=C2C)CC1.
What is the InChIKey of 1-methyl-7-propyl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine?
The InChIKey is IWGVYAWFHYNUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-5-13-6-4-7-15-12(2)16-11-10-14(15)9-8-13/h10,13,15H,3-9,11H2,1-2H3.
What are the key properties of 1-methyl-7-propyl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine?
1-methyl-7-propyl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine has a molecular weight of 219.37 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-propyl-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine is sourced from PubChem (CID 158824409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).