7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine

C12H16N2 — CID 146205485

IUPAC7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine
SMILESc1cc2c(cn1)CNC(C1CC1)CC2
InChIInChI=1S/C12H16N2/c1-2-10(1)12-4-3-9-5-6-13-7-11(9)8-14-12/h5-7,10,12,14H,1-4,8H2
InChIKeyYJGFLNCXCULRRW-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.90
Rot. Bonds1

About 7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine

7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine (PubChem CID 146205485) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine.

Molecular Properties

Compound Name7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine
PubChem CID146205485
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine
SMILESc1cc2c(cn1)CNC(C1CC1)CC2
InChIInChI=1S/C12H16N2/c1-2-10(1)12-4-3-9-5-6-13-7-11(9)8-14-12/h5-7,10,12,14H,1-4,8H2
InChIKeyYJGFLNCXCULRRW-UHFFFAOYSA-N
XLogP1.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
CID 142220956
1-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
CID 68632230
1,2,3,4-tetrahydro-1,6-naphthyridin-2-ol
CID 140792897
6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol
CID 12042863
(5R)-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol
CID 92845053
7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline
CID 169193360
6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine;dihydrochloride
CID 138393726
ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 170960546
7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline
CID 142035491
2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane
CID 142276554
7-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 59145627
3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene
CID 112714414

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine?
The IUPAC name of 7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine (CID 146205485) is 7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine.
What is the SMILES notation for 7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine?
The canonical SMILES for 7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine is c1cc2c(cn1)CNC(C1CC1)CC2.
What is the InChIKey of 7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine?
The InChIKey is YJGFLNCXCULRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-10(1)12-4-3-9-5-6-13-7-11(9)8-14-12/h5-7,10,12,14H,1-4,8H2.
What are the key properties of 7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine?
7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine has a molecular weight of 188.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine is sourced from PubChem (CID 146205485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).