2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine

C12H19N — CID 59576841

IUPAC2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine
SMILESCC(C)(C)N1CCC2=C(CC=C2)C1
InChIInChI=1S/C12H19N/c1-12(2,3)13-8-7-10-5-4-6-11(10)9-13/h4-5H,6-9H2,1-3H3
InChIKeyCENISCCYLISLFA-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.75
Rot. Bonds

About 2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine

2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine (PubChem CID 59576841) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine
PubChem CID59576841
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine
SMILESCC(C)(C)N1CCC2=C(CC=C2)C1
InChIInChI=1S/C12H19N/c1-12(2,3)13-8-7-10-5-4-6-11(10)9-13/h4-5H,6-9H2,1-3H3
InChIKeyCENISCCYLISLFA-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
6-Fluoro-1-methyl-2,3,6,7-tetrahydroindole
CID 89202987
6-Fluoro-2-propan-2-yl-1,3,4,5-tetrahydroisoindole
CID 166553100
N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine
CID 174334147
N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine
CID 15514425
N-butyl-2-methyl-5-vinylpyridine
CID 129760240
1-Diethylaminostyrene
CID 129871574
N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine
CID 15514429
1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine
CID 102083
N-(2-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
CID 12178792
N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
CID 13212526
1,2-Dimethyl-3,4-dihydrocyclopenta[c]pyridine
CID 13860311

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine?
The IUPAC name of 2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine (CID 59576841) is 2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine.
What is the SMILES notation for 2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine?
The canonical SMILES for 2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine is CC(C)(C)N1CCC2=C(CC=C2)C1.
What is the InChIKey of 2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine?
The InChIKey is CENISCCYLISLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-12(2,3)13-8-7-10-5-4-6-11(10)9-13/h4-5H,6-9H2,1-3H3.
What are the key properties of 2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine?
2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine has a molecular weight of 177.29 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine is sourced from PubChem (CID 59576841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).