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

C12H25N — CID 142196659

IUPAC2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
SMILESC1CCC2CCCNC2CC1.CC
InChIInChI=1S/C10H19N.C2H6/c1-2-5-9-6-4-8-11-10(9)7-3-1;1-2/h9-11H,1-8H2;1-2H3
InChIKeyIAFXWZQYWWBOEN-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.34
Rot. Bonds

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

2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane (PubChem CID 142196659) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
PubChem CID142196659
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
SMILESC1CCC2CCCNC2CC1.CC
InChIInChI=1S/C10H19N.C2H6/c1-2-5-9-6-4-8-11-10(9)7-3-1;1-2/h9-11H,1-8H2;1-2H3
InChIKeyIAFXWZQYWWBOEN-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-cycloheptylpiperidine;hydrochloride
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(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
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6-methyl-2-(5-methylcyclononyl)azonane
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CID 174042900
CID 174042900
2-pyrrolidin-2-ylpiperidine
CID 14810994
7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine
CID 143671086
2-(3-cyclopentyl-2,2-difluorocyclopropyl)pyrrolidine
CID 126845474

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane?
The IUPAC name of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane (CID 142196659) is 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane.
What is the SMILES notation for 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane?
The canonical SMILES for 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane is C1CCC2CCCNC2CC1.CC.
What is the InChIKey of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane?
The InChIKey is IAFXWZQYWWBOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C2H6/c1-2-5-9-6-4-8-11-10(9)7-3-1;1-2/h9-11H,1-8H2;1-2H3.
What are the key properties of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane?
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane has a molecular weight of 183.34 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane is sourced from PubChem (CID 142196659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).