6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine

C11H16N2 — CID 123242170

IUPAC6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine
SMILESNCC1CCc2cccnc2CC1
InChIInChI=1S/C11H16N2/c12-8-9-3-5-10-2-1-7-13-11(10)6-4-9/h1-2,7,9H,3-6,8,12H2
InChIKeyFBKJIXYWWVWNRQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.54
Rot. Bonds1

About 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine

6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine (PubChem CID 123242170) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine
PubChem CID123242170
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine
SMILESNCC1CCc2cccnc2CC1
InChIInChI=1S/C11H16N2/c12-8-9-3-5-10-2-1-7-13-11(10)6-4-9/h1-2,7,9H,3-6,8,12H2
InChIKeyFBKJIXYWWVWNRQ-UHFFFAOYSA-N
XLogP1.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6,7,8-tetrahydroquinolin-6-ylmethanol
CID 69108967
5,6,7,8-tetrahydroquinolin-7-amine;hydrochloride
CID 156621052
6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinoline
CID 126639373
7-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinoline
CID 138515872
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 86313684
(4-pyridin-2-ylcyclohexyl)methanamine
CID 82281318
12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
CID 175984451
(7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one
CID 159433831
ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline
CID 143143665
(Z)-2-N-iodo-1-(5,6,7,8-tetrahydroquinolin-7-yl)but-2-ene-2,3-diamine
CID 89261198
6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ylmethylphosphane
CID 145086188
(5,6,7,8-tetrahydroquinolin-7-ylamino)methanol
CID 14835920

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine?
The IUPAC name of 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine (CID 123242170) is 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine is NCC1CCc2cccnc2CC1.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine?
The InChIKey is FBKJIXYWWVWNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c12-8-9-3-5-10-2-1-7-13-11(10)6-4-9/h1-2,7,9H,3-6,8,12H2.
What are the key properties of 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine?
6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine has a molecular weight of 176.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine is sourced from PubChem (CID 123242170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).