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

C13H20N2 — CID 157035297

IUPAC8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine
SMILESCC1C=CC=C2C(=NCCC2C(C)C)N1
InChIInChI=1S/C13H20N2/c1-9(2)11-7-8-14-13-12(11)6-4-5-10(3)15-13/h4-6,9-11H,7-8H2,1-3H3,(H,14,15)
InChIKeyZAVWBTRUMQENSR-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.54
Rot. Bonds1

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

8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine (PubChem CID 157035297) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine.

Molecular Properties

Compound Name8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine
PubChem CID157035297
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine
SMILESCC1C=CC=C2C(=NCCC2C(C)C)N1
InChIInChI=1S/C13H20N2/c1-9(2)11-7-8-14-13-12(11)6-4-5-10(3)15-13/h4-6,9-11H,7-8H2,1-3H3,(H,14,15)
InChIKeyZAVWBTRUMQENSR-UHFFFAOYSA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(Piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine
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2-(4-methylpentyl)-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 89636915
2-ethyl-3a,9,9a,9b-tetrahydro-1H-perimidine
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7-ethyl-2,3,4,8-tetrahydro-1H-pyrido[2,3-b]azepine
CID 91251223
N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide
CID 123507286
5-methyl-N-(4-methylhex-1-en-3-yl)-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine
CID 123861376
N'-butyl-6-methyl-N-propan-2-ylcyclohexa-1,3-diene-1-carboximidamide
CID 124013843
3-but-1-en-2-yl-N-propan-2-yl-5,6-dihydro-2H-azepin-7-amine
CID 129082407
N',2-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboximidamide
CID 130220199
(Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine
CID 134270603
(2Z)-N'-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylpenta-2,4-dienimidamide
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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine?
The IUPAC name of 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine (CID 157035297) is 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine.
What is the SMILES notation for 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine?
The canonical SMILES for 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine is CC1C=CC=C2C(=NCCC2C(C)C)N1.
What is the InChIKey of 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine?
The InChIKey is ZAVWBTRUMQENSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9(2)11-7-8-14-13-12(11)6-4-5-10(3)15-13/h4-6,9-11H,7-8H2,1-3H3,(H,14,15).
What are the key properties of 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine?
8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine has a molecular weight of 204.32 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-propan-2-yl-3,4,8,9-tetrahydro-2H-pyrido[2,3-b]azepine is sourced from PubChem (CID 157035297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).