1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine

C11H19N — CID 112714334

IUPAC1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine
SMILESC1CC2CC3NCCCC3C2C1
InChIInChI=1S/C11H19N/c1-3-8-7-11-10(9(8)4-1)5-2-6-12-11/h8-12H,1-7H2
InChIKeyLOVBUDRDQHDQML-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.17
Rot. Bonds

About 1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine

1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine (PubChem CID 112714334) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine.

Molecular Properties

Compound Name1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine
PubChem CID112714334
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine
SMILESC1CC2CC3NCCCC3C2C1
InChIInChI=1S/C11H19N/c1-3-8-7-11-10(9(8)4-1)5-2-6-12-11/h8-12H,1-7H2
InChIKeyLOVBUDRDQHDQML-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-azabicyclo[4.1.0]heptane;molecular hydrogen
CID 144713678
2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoxaline
CID 57117001
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-benzo[e]indole
CID 112714659
2-cyclopentylpyrrolidine
CID 4031549
tricyclo[4.4.0.02,8]decane
CID 585864
(4aS,5R,6R,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5,6,7-triol
CID 11008650
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
2-chloro-3-cyclohexylpiperidine
CID 89323550
2-cycloheptylpyrrolidine;hydrochloride
CID 115023231
(1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 163133323
1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine
CID 66851093

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine?
The IUPAC name of 1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine (CID 112714334) is 1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine.
What is the SMILES notation for 1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine?
The canonical SMILES for 1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine is C1CC2CC3NCCCC3C2C1.
What is the InChIKey of 1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine?
The InChIKey is LOVBUDRDQHDQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-8-7-11-10(9(8)4-1)5-2-6-12-11/h8-12H,1-7H2.
What are the key properties of 1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine?
1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine has a molecular weight of 165.28 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine is sourced from PubChem (CID 112714334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).