8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine

C10H14N2 — CID 143224706

IUPAC8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine
SMILESCC1=CC=CC2CCCN=C2N1
InChIInChI=1S/C10H14N2/c1-8-4-2-5-9-6-3-7-11-10(9)12-8/h2,4-5,9H,3,6-7H2,1H3,(H,11,12)
InChIKeyMUDGZBLGZTXCAM-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.86
Rot. Bonds

About 8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine

8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine (PubChem CID 143224706) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine.

Molecular Properties

Compound Name8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine
PubChem CID143224706
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine
SMILESCC1=CC=CC2CCCN=C2N1
InChIInChI=1S/C10H14N2/c1-8-4-2-5-9-6-3-7-11-10(9)12-8/h2,4-5,9H,3,6-7H2,1H3,(H,11,12)
InChIKeyMUDGZBLGZTXCAM-UHFFFAOYSA-N
XLogP1.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine
CID 10080549
2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole
CID 59585993
N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide
CID 70875583
N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide
CID 134214393
[(6R)-2-methylimino-3-azabicyclo[4.1.0]hept-4-en-4-yl]methanamine
CID 136482932
3-ethyl-N,4,6-trimethyl-3,4-dihydro-1H-pyridin-2-imine
CID 137119405
N-cyclohexa-1,3-dien-1-yl-N'-methylethanimidamide
CID 141893272
6-methyl-N-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-imine
CID 156227203
N-[(3Z)-hexa-1,3-dien-2-yl]-N',2-dimethylbutanimidamide
CID 156235541
(3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine
CID 163530954
2-Ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine
CID 163562000
7-Ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine
CID 164856300

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine?
The IUPAC name of 8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine (CID 143224706) is 8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine.
What is the SMILES notation for 8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine?
The canonical SMILES for 8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine is CC1=CC=CC2CCCN=C2N1.
What is the InChIKey of 8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine?
The InChIKey is MUDGZBLGZTXCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8-4-2-5-9-6-3-7-11-10(9)12-8/h2,4-5,9H,3,6-7H2,1H3,(H,11,12).
What are the key properties of 8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine?
8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine has a molecular weight of 162.24 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine is sourced from PubChem (CID 143224706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).