1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine

C12H21N — CID 130638381

IUPAC1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine
SMILESCC1(C)CCC(N2CC=CCC2)C1
InChIInChI=1S/C12H21N/c1-12(2)7-6-11(10-12)13-8-4-3-5-9-13/h3-4,11H,5-10H2,1-2H3
InChIKeyKIUVWQNPTSZQNA-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.83
Rot. Bonds1

About 1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine

1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine (PubChem CID 130638381) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine
PubChem CID130638381
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine
SMILESCC1(C)CCC(N2CC=CCC2)C1
InChIInChI=1S/C12H21N/c1-12(2)7-6-11(10-12)13-8-4-3-5-9-13/h3-4,11H,5-10H2,1-2H3
InChIKeyKIUVWQNPTSZQNA-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine (CID 130638381) is 1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine is CC1(C)CCC(N2CC=CCC2)C1.
What is the InChIKey of 1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine?
The InChIKey is KIUVWQNPTSZQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-12(2)7-6-11(10-12)13-8-4-3-5-9-13/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine?
1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine has a molecular weight of 179.31 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130638381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).