3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine

C14H23N — CID 58179604

IUPAC3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine
SMILESCC(C)C1=CC2=C(CCN(C)CC2)C1C
InChIInChI=1S/C14H23N/c1-10(2)14-9-12-5-7-15(4)8-6-13(12)11(14)3/h9-11H,5-8H2,1-4H3
InChIKeyJCKVAVGMQSLZIO-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.24
Rot. Bonds1

About 3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine

3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine (PubChem CID 58179604) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine.

Molecular Properties

Compound Name3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine
PubChem CID58179604
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine
SMILESCC(C)C1=CC2=C(CCN(C)CC2)C1C
InChIInChI=1S/C14H23N/c1-10(2)14-9-12-5-7-15(4)8-6-13(12)11(14)3/h9-11H,5-8H2,1-4H3
InChIKeyJCKVAVGMQSLZIO-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine?
The IUPAC name of 3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine (CID 58179604) is 3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine.
What is the SMILES notation for 3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine?
The canonical SMILES for 3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine is CC(C)C1=CC2=C(CCN(C)CC2)C1C.
What is the InChIKey of 3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine?
The InChIKey is JCKVAVGMQSLZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10(2)14-9-12-5-7-15(4)8-6-13(12)11(14)3/h9-11H,5-8H2,1-4H3.
What are the key properties of 3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine?
3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine has a molecular weight of 205.34 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-7-propan-2-yl-2,4,5,6-tetrahydro-1H-cyclopenta[d]azepine is sourced from PubChem (CID 58179604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).