2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine

C11H19N — CID 162883519

IUPAC2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine
SMILESCC1=C2CN(C)CC(C)C2CC1
InChIInChI=1S/C11H19N/c1-8-4-5-10-9(2)6-12(3)7-11(8)10/h9-10H,4-7H2,1-3H3
InChIKeyLYLJJPBJTDCXTN-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.29
Rot. Bonds

About 2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine

2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine (PubChem CID 162883519) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine.

Molecular Properties

Compound Name2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine
PubChem CID162883519
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine
SMILESCC1=C2CN(C)CC(C)C2CC1
InChIInChI=1S/C11H19N/c1-8-4-5-10-9(2)6-12(3)7-11(8)10/h9-10H,4-7H2,1-3H3
InChIKeyLYLJJPBJTDCXTN-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.29
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

1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine
CID 159857957
(5S,8S,8aS)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,4,5,6,7,8,8a-octahydroazulene
CID 15834756
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
1,4,5-trimethylazepane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine;1,3,4-trimethyl-2,5-dihydropyrrole;1,3,4-trimethylpiperidine;1,3,4-trimethylpyrrolidine;1,4,5-trimethyl-2,3,6,7-tetrahydroazepine
CID 159190601
3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 163050318
(6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene
CID 91748721
(8S)-1,6,8-trimethyl-3,3a,5,7,8,8a-hexahydro-2H-pyrrolo[2,3-d]azepin-4-one
CID 142187739
1,3,5,6-tetramethyl-3,4-dihydro-2H-pyridine
CID 137423387
1,3,4-trimethylpiperidine
CID 14454423
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
(Z)-(1,4,5-trimethylpiperidin-3-ylidene)methanol
CID 166940474
(1R,3aZ,6R,9aS)-1,4,6,8,8-pentamethyl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[8]annulene
CID 139591490

Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine?
The IUPAC name of 2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine (CID 162883519) is 2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine.
What is the SMILES notation for 2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine?
The canonical SMILES for 2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine is CC1=C2CN(C)CC(C)C2CC1.
What is the InChIKey of 2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine?
The InChIKey is LYLJJPBJTDCXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8-4-5-10-9(2)6-12(3)7-11(8)10/h9-10H,4-7H2,1-3H3.
What are the key properties of 2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine?
2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine has a molecular weight of 165.28 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine is sourced from PubChem (CID 162883519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).