(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine

C10H19N — CID 92720077

IUPAC(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
SMILESC1CC[C@H]2CCCC[C@H]2NC1
InChIInChI=1S/C10H19N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h9-11H,1-8H2/t9-,10-/m1/s1
InChIKeyCFCCVPRUHJVDLO-NXEZZACHSA-N
MW153.27 g/mol
LogP2.32
Rot. Bonds

About (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine

(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine (PubChem CID 92720077) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine.

Molecular Properties

Compound Name(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
PubChem CID92720077
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
SMILESC1CC[C@H]2CCCC[C@H]2NC1
InChIInChI=1S/C10H19N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h9-11H,1-8H2/t9-,10-/m1/s1
InChIKeyCFCCVPRUHJVDLO-NXEZZACHSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-cyclohexylpiperidine
CID 7016471
2-cyclodecylazecane
CID 126739440
2-cycloheptylpiperidine;hydrochloride
CID 115030388
2-cyclopentylpyrrolidine
CID 4031549
2-(4-cyclohexylcyclohexyl)piperidine
CID 83404287
2-cycloheptylpyrrolidine;hydrochloride
CID 115023231
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
2-piperidin-4-ylpiperidine;dihydrochloride
CID 86100620
CID 174042900
CID 174042900
2-pyrrolidin-2-ylpiperidine
CID 14810994
6-methyl-2-(5-methylcyclononyl)azonane
CID 146602825
4-piperidin-2-ylcyclohexan-1-one
CID 83262290

Frequently Asked Questions

What is the IUPAC name of (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine?
The IUPAC name of (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine (CID 92720077) is (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine.
What is the SMILES notation for (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine?
The canonical SMILES for (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine is C1CC[C@H]2CCCC[C@H]2NC1.
What is the InChIKey of (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine?
The InChIKey is CFCCVPRUHJVDLO-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h9-11H,1-8H2/t9-,10-/m1/s1.
What are the key properties of (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine?
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine has a molecular weight of 153.27 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine is sourced from PubChem (CID 92720077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).