9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine

C14H26N2 — CID 19890892

IUPAC9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
SMILESC1CCC(N2CCCC2)C2NCCCC2C1
InChIInChI=1S/C14H26N2/c1-2-8-13(16-10-3-4-11-16)14-12(6-1)7-5-9-15-14/h12-15H,1-11H2
InChIKeyULVWBQQNHGBEOD-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.39
Rot. Bonds1

About 9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine

9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine (PubChem CID 19890892) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
PubChem CID19890892
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
SMILESC1CCC(N2CCCC2)C2NCCCC2C1
InChIInChI=1S/C14H26N2/c1-2-8-13(16-10-3-4-11-16)14-12(6-1)7-5-9-15-14/h12-15H,1-11H2
InChIKeyULVWBQQNHGBEOD-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678711
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CID 160750603
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3-piperidin-1-ylpiperidine-2-carboxylic acid
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CID 54977827
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16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane
CID 137397804
(7R)-1-[(2S)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 5320310
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Frequently Asked Questions

What is the IUPAC name of 9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine?
The IUPAC name of 9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine (CID 19890892) is 9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine.
What is the SMILES notation for 9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine?
The canonical SMILES for 9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine is C1CCC(N2CCCC2)C2NCCCC2C1.
What is the InChIKey of 9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine?
The InChIKey is ULVWBQQNHGBEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-8-13(16-10-3-4-11-16)14-12(6-1)7-5-9-15-14/h12-15H,1-11H2.
What are the key properties of 9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine?
9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine has a molecular weight of 222.38 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine is sourced from PubChem (CID 19890892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).