7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole

C14H18N2 — CID 84622011

IUPAC7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole
SMILESCc1cc(C)c2[nH]c3c(c2c1)CCCNC3
InChIInChI=1S/C14H18N2/c1-9-6-10(2)14-12(7-9)11-4-3-5-15-8-13(11)16-14/h6-7,15-16H,3-5,8H2,1-2H3
InChIKeyACHIRQKQCDDMIA-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.82
Rot. Bonds

About 7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole

7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole (PubChem CID 84622011) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole.

Molecular Properties

Compound Name7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole
PubChem CID84622011
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole
SMILESCc1cc(C)c2[nH]c3c(c2c1)CCCNC3
InChIInChI=1S/C14H18N2/c1-9-6-10(2)14-12(7-9)11-4-3-5-15-8-13(11)16-14/h6-7,15-16H,3-5,8H2,1-2H3
InChIKeyACHIRQKQCDDMIA-UHFFFAOYSA-N
XLogP2.82
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

8-chloro-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 19418954
6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one
CID 83528405
6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-ol
CID 65332833
6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 19807228
6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 104509007
7,8-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole
CID 84622005
ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
CID 142960260
6-chloro-8-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 146381956
1,5,6,7,8,9-hexahydropyrimido[4,5-c]azepine-2,4-dione;hydrochloride
CID 139026448
1-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine
CID 84630510
6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75464980
1,3,6-trimethyl-9H-carbazole
CID 139213984

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole?
The IUPAC name of 7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole (CID 84622011) is 7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole.
What is the SMILES notation for 7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole?
The canonical SMILES for 7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole is Cc1cc(C)c2[nH]c3c(c2c1)CCCNC3.
What is the InChIKey of 7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole?
The InChIKey is ACHIRQKQCDDMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-9-6-10(2)14-12(7-9)11-4-3-5-15-8-13(11)16-14/h6-7,15-16H,3-5,8H2,1-2H3.
What are the key properties of 7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole?
7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole has a molecular weight of 214.31 g/mol, XLogP of 2.82, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole is sourced from PubChem (CID 84622011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).