6,6-dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine

C11H16N2 — CID 143729093

IUPAC6,6-dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine
SMILESCC1(C)C=CNC2=NCCCC2=C1
InChIInChI=1S/C11H16N2/c1-11(2)5-7-13-10-9(8-11)4-3-6-12-10/h5,7-8H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyPTWTVLDVVMJAEG-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.25
Rot. Bonds

About 6,6-dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine

6,6-dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine (PubChem CID 143729093) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 6,6-dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine.

Molecular Properties

Compound Name6,6-dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine
PubChem CID143729093
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name6,6-dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine
SMILESCC1(C)C=CNC2=NCCCC2=C1
InChIInChI=1S/C11H16N2/c1-11(2)5-7-13-10-9(8-11)4-3-6-12-10/h5,7-8H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyPTWTVLDVVMJAEG-UHFFFAOYSA-N
XLogP2.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-N-ethenyl-5-(2-methylbutylidene)-3,4-dihydro-2H-pyridin-6-amine
CID 90689208
8-methyl-4H-cyclopenta[c][1,8]naphthyridine
CID 91205102
(5Z)-N-ethenyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 91246509
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
CID 123196788
2-(4-Methylcyclohexen-1-yl)-1,4-dihydropyrimidine
CID 123240186
N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine
CID 123477375
N-ethenyl-N',6,7-trimethyl-5-[1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethyl]cyclohepta-1,3,5-triene-1-carboximidamide
CID 123666018
(4Z)-N-ethenyl-4-ethylidene-2,3-dihydropyrrol-5-amine
CID 123900638
N-ethenyl-5-ethyl-2,3-dihydropyridin-6-amine
CID 123914489
(3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine
CID 126659319
(E)-N'-[(Z)-prop-1-enyl]-2-propylpent-2-enimidamide
CID 129060096
5-Methyl-2,3,5,8-tetrahydropyrrolo[2,3-b]azepine
CID 132065976

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine?
The IUPAC name of 6,6-dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine (CID 143729093) is 6,6-dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine.
What is the SMILES notation for 6,6-dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine?
The canonical SMILES for 6,6-dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine is CC1(C)C=CNC2=NCCCC2=C1.
What is the InChIKey of 6,6-dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine?
The InChIKey is PTWTVLDVVMJAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2)5-7-13-10-9(8-11)4-3-6-12-10/h5,7-8H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of 6,6-dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine?
6,6-dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine has a molecular weight of 176.26 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine is sourced from PubChem (CID 143729093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).