1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium

C15H21N2+ — CID 23267296

IUPAC1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium
SMILESCC([NH3+])Cc1c[nH]c2c3c(ccc12)CCCC3
InChIInChI=1S/C15H20N2/c1-10(16)8-12-9-17-15-13-5-3-2-4-11(13)6-7-14(12)15/h6-7,9-10,17H,2-5,8,16H2,1H3/p+1
InChIKeyYZNHVMXDUCLVFA-UHFFFAOYSA-O
MW229.35 g/mol
LogP2.22
Rot. Bonds2

About 1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium

1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium (PubChem CID 23267296) has the molecular formula C15H21N2+ and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium.

Molecular Properties

Compound Name1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium
PubChem CID23267296
Molecular FormulaC15H21N2+
Molecular Weight229.35 g/mol
Exact Mass229.17
IUPAC Name1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium
SMILESCC([NH3+])Cc1c[nH]c2c3c(ccc12)CCCC3
InChIInChI=1S/C15H20N2/c1-10(16)8-12-9-17-15-13-5-3-2-4-11(13)6-7-14(12)15/h6-7,9-10,17H,2-5,8,16H2,1H3/p+1
InChIKeyYZNHVMXDUCLVFA-UHFFFAOYSA-O
XLogP2.22
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium?
The IUPAC name of 1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium (CID 23267296) is 1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium.
What is the SMILES notation for 1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium?
The canonical SMILES for 1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium is CC([NH3+])Cc1c[nH]c2c3c(ccc12)CCCC3.
What is the InChIKey of 1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium?
The InChIKey is YZNHVMXDUCLVFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N2/c1-10(16)8-12-9-17-15-13-5-3-2-4-11(13)6-7-14(12)15/h6-7,9-10,17H,2-5,8,16H2,1H3/p+1.
What are the key properties of 1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium?
1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium has a molecular weight of 229.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium is sourced from PubChem (CID 23267296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).