2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[c]azepine

C10H19N — CID 23033078

IUPAC2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[c]azepine
SMILESC1CCC2CNCCCC2C1
InChIInChI=1S/C10H19N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h9-11H,1-8H2
InChIKeyCYDCIIRMKHJOAP-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.18
Rot. Bonds

About 2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[c]azepine

2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[c]azepine (PubChem CID 23033078) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[c]azepine.

Molecular Properties

Compound Name2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[c]azepine
PubChem CID23033078
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[c]azepine
SMILESC1CCC2CNCCCC2C1
InChIInChI=1S/C10H19N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h9-11H,1-8H2
InChIKeyCYDCIIRMKHJOAP-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[c]azepine?
The IUPAC name of 2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[c]azepine (CID 23033078) is 2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[c]azepine.
What is the SMILES notation for 2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[c]azepine?
The canonical SMILES for 2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[c]azepine is C1CCC2CNCCCC2C1.
What is the InChIKey of 2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[c]azepine?
The InChIKey is CYDCIIRMKHJOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h9-11H,1-8H2.
What are the key properties of 2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[c]azepine?
2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[c]azepine has a molecular weight of 153.27 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[c]azepine is sourced from PubChem (CID 23033078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).