ethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine

C13H25N — CID 90760061

IUPACethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine
SMILESCC.CC.CC1=NCC2=C(CCC2)C1
InChIInChI=1S/C9H13N.2C2H6/c1-7-5-8-3-2-4-9(8)6-10-7;2*1-2/h2-6H2,1H3;2*1-2H3
InChIKeyADJOVBLXNYQCSM-UHFFFAOYSA-N
MW195.35 g/mol
LogP4.38
Rot. Bonds

About ethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine

ethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine (PubChem CID 90760061) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is ethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine.

Molecular Properties

Compound Nameethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine
PubChem CID90760061
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Nameethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine
SMILESCC.CC.CC1=NCC2=C(CCC2)C1
InChIInChI=1S/C9H13N.2C2H6/c1-7-5-8-3-2-4-9(8)6-10-7;2*1-2/h2-6H2,1H3;2*1-2H3
InChIKeyADJOVBLXNYQCSM-UHFFFAOYSA-N
XLogP4.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
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

5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole
CID 10057693
(4E)-4-ethylidene-5-heptyl-2,3-dihydropyrrole
CID 101476035
5-Methyl-3-propan-2-ylidene-2,4-dihydropyrrole
CID 13017224
3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole
CID 20604071
3,5,7-trimethyl-4,6-dihydro-1H-cyclopenta[c]pyridine
CID 20647160
3,5,6-trimethyl-4,7-dihydro-1H-cyclopenta[c]pyridine
CID 20647161
3,6,7-trimethyl-4,5-dihydro-1H-cyclopenta[c]pyridine
CID 20647168
3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole
CID 20674236
2-methyl-4,5,6,7-tetrahydro-3H-indole
CID 23558734
3-Methyl-1,4,5,6,7,8-hexahydroisoquinoline
CID 23558738
3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine
CID 23558740
3,5,6,7-tetrahydro-2H-indole
CID 54251926

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine?
The IUPAC name of ethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine (CID 90760061) is ethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine.
What is the SMILES notation for ethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine?
The canonical SMILES for ethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine is CC.CC.CC1=NCC2=C(CCC2)C1.
What is the InChIKey of ethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine?
The InChIKey is ADJOVBLXNYQCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.2C2H6/c1-7-5-8-3-2-4-9(8)6-10-7;2*1-2/h2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine?
ethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine has a molecular weight of 195.35 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine is sourced from PubChem (CID 90760061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).