6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C17H18BrN3 — CID 143326420

IUPAC6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3NC1=CCCC=N1
InChIInChI=1S/C17H18BrN3/c18-11-7-8-14-13(10-11)12-4-3-5-15(17(12)21-14)20-16-6-1-2-9-19-16/h6-10,15,20-21H,1-5H2
InChIKeyHCBYZVPZYRRBFU-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.60
Rot. Bonds2

About 6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 143326420) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is 6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID143326420
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3NC1=CCCC=N1
InChIInChI=1S/C17H18BrN3/c18-11-7-8-14-13(10-11)12-4-3-5-15(17(12)21-14)20-16-6-1-2-9-19-16/h6-10,15,20-21H,1-5H2
InChIKeyHCBYZVPZYRRBFU-UHFFFAOYSA-N
XLogP4.60
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4,5-dihydropyrimidin-2-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-amine
CID 142977055
6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
CID 68927585
6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 142505549
6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 597879
(1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2177287
6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11258664
N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11442728
N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide
CID 11474133
1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride
CID 11474671
6-bromo-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 3414756
6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 154949452
3-[(2-bromo-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-yl)amino]propyl-tert-butylcarbamic acid
CID 155191551

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 143326420) is 6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is Brc1ccc2[nH]c3c(c2c1)CCCC3NC1=CCCC=N1.
What is the InChIKey of 6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is HCBYZVPZYRRBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c18-11-7-8-14-13(10-11)12-4-3-5-15(17(12)21-14)20-16-6-1-2-9-19-16/h6-10,15,20-21H,1-5H2.
What are the key properties of 6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 344.26 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 143326420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).