4-methyl-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[b]azepine

C13H19N — CID 135131900

IUPAC4-methyl-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[b]azepine
SMILESCC(C)C1(C)C=CN=C2CCCC2=C1
InChIInChI=1S/C13H19N/c1-10(2)13(3)7-8-14-12-6-4-5-11(12)9-13/h7-10H,4-6H2,1-3H3
InChIKeyAVOYVHQTOGBMFF-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.73
Rot. Bonds1

About 4-methyl-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[b]azepine

4-methyl-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[b]azepine (PubChem CID 135131900) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-methyl-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[b]azepine.

Molecular Properties

Compound Name4-methyl-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[b]azepine
PubChem CID135131900
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-methyl-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[b]azepine
SMILESCC(C)C1(C)C=CN=C2CCCC2=C1
InChIInChI=1S/C13H19N/c1-10(2)13(3)7-8-14-12-6-4-5-11(12)9-13/h7-10H,4-6H2,1-3H3
InChIKeyAVOYVHQTOGBMFF-UHFFFAOYSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[b]azepine?
The IUPAC name of 4-methyl-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[b]azepine (CID 135131900) is 4-methyl-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[b]azepine.
What is the SMILES notation for 4-methyl-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[b]azepine?
The canonical SMILES for 4-methyl-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[b]azepine is CC(C)C1(C)C=CN=C2CCCC2=C1.
What is the InChIKey of 4-methyl-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[b]azepine?
The InChIKey is AVOYVHQTOGBMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)13(3)7-8-14-12-6-4-5-11(12)9-13/h7-10H,4-6H2,1-3H3.
What are the key properties of 4-methyl-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[b]azepine?
4-methyl-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[b]azepine has a molecular weight of 189.30 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[b]azepine is sourced from PubChem (CID 135131900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).