4,5-di(propan-2-yl)-8,9-dihydro-7H-pyrido[3,4-d]azepine

C15H22N2 — CID 170669180

IUPAC4,5-di(propan-2-yl)-8,9-dihydro-7H-pyrido[3,4-d]azepine
SMILESCC(C)C1=CNCCc2cncc(C(C)C)c21
InChIInChI=1S/C15H22N2/c1-10(2)13-8-16-6-5-12-7-17-9-14(11(3)4)15(12)13/h7-11,16H,5-6H2,1-4H3
InChIKeyDOCIICRWFNTWBK-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.35
Rot. Bonds2

About 4,5-di(propan-2-yl)-8,9-dihydro-7H-pyrido[3,4-d]azepine

4,5-di(propan-2-yl)-8,9-dihydro-7H-pyrido[3,4-d]azepine (PubChem CID 170669180) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-8,9-dihydro-7H-pyrido[3,4-d]azepine.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-8,9-dihydro-7H-pyrido[3,4-d]azepine
PubChem CID170669180
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4,5-di(propan-2-yl)-8,9-dihydro-7H-pyrido[3,4-d]azepine
SMILESCC(C)C1=CNCCc2cncc(C(C)C)c21
InChIInChI=1S/C15H22N2/c1-10(2)13-8-16-6-5-12-7-17-9-14(11(3)4)15(12)13/h7-11,16H,5-6H2,1-4H3
InChIKeyDOCIICRWFNTWBK-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
CID 126704564
4-(1-hydroxypropyl)-6,7-dihydrocyclopenta[c]pyridin-5-one
CID 15340734
8-propan-2-yl-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1,1-dioxide
CID 153432852
2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine
CID 164720435
4,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
CID 170669011
4,5-di(propan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
CID 170668940
4-propan-2-yl-2,3-dihydrofuro[2,3-c]pyridine
CID 176699497
2-cyclopropyl-7-propan-2-ylfuro[3,2-c]pyridine
CID 178038688
2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione
CID 138574865
8-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
CID 154620164
CID 163251804
CID 163251804
7-propan-2-yl-2,3-dihydroinden-1-one
CID 45096604

Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-8,9-dihydro-7H-pyrido[3,4-d]azepine?
The IUPAC name of 4,5-di(propan-2-yl)-8,9-dihydro-7H-pyrido[3,4-d]azepine (CID 170669180) is 4,5-di(propan-2-yl)-8,9-dihydro-7H-pyrido[3,4-d]azepine.
What is the SMILES notation for 4,5-di(propan-2-yl)-8,9-dihydro-7H-pyrido[3,4-d]azepine?
The canonical SMILES for 4,5-di(propan-2-yl)-8,9-dihydro-7H-pyrido[3,4-d]azepine is CC(C)C1=CNCCc2cncc(C(C)C)c21.
What is the InChIKey of 4,5-di(propan-2-yl)-8,9-dihydro-7H-pyrido[3,4-d]azepine?
The InChIKey is DOCIICRWFNTWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-10(2)13-8-16-6-5-12-7-17-9-14(11(3)4)15(12)13/h7-11,16H,5-6H2,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)-8,9-dihydro-7H-pyrido[3,4-d]azepine?
4,5-di(propan-2-yl)-8,9-dihydro-7H-pyrido[3,4-d]azepine has a molecular weight of 230.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-8,9-dihydro-7H-pyrido[3,4-d]azepine is sourced from PubChem (CID 170669180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).