[(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium

C16H23N2+ — CID 11877261

IUPAC[(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium
SMILESCc1cc(C)c2[nH]cc([C@@H]3CCCC[C@@H]3[NH3+])c2c1
InChIInChI=1S/C16H22N2/c1-10-7-11(2)16-13(8-10)14(9-18-16)12-5-3-4-6-15(12)17/h7-9,12,15,18H,3-6,17H2,1-2H3/p+1/t12-,15-/m0/s1
InChIKeyMOSRQZQHYDDGSV-WFASDCNBSA-O
MW243.37 g/mol
LogP3.05
Rot. Bonds1

About [(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium

[(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium (PubChem CID 11877261) has the molecular formula C16H23N2+ and a molecular weight of 243.37 g/mol. Its IUPAC name is [(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium.

Molecular Properties

Compound Name[(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium
PubChem CID11877261
Molecular FormulaC16H23N2+
Molecular Weight243.37 g/mol
Exact Mass243.19
IUPAC Name[(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium
SMILESCc1cc(C)c2[nH]cc([C@@H]3CCCC[C@@H]3[NH3+])c2c1
InChIInChI=1S/C16H22N2/c1-10-7-11(2)16-13(8-10)14(9-18-16)12-5-3-4-6-15(12)17/h7-9,12,15,18H,3-6,17H2,1-2H3/p+1/t12-,15-/m0/s1
InChIKeyMOSRQZQHYDDGSV-WFASDCNBSA-O
XLogP3.05
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze [(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium 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

2-(7-chloro-5-methyl-1H-indol-3-yl)cyclohexan-1-amine
CID 54405033
3-iodo-5,7-dimethyl-1H-indole
CID 15247557
5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497303
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494846
3-cyclopentyl-7-methyl-1H-indole
CID 106985483
2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine
CID 82397045
2-(6,7-dimethyl-1H-indol-3-yl)cyclopentan-1-amine
CID 54319398
3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole
CID 168941671
1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490831
3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674980
2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine
CID 84622445
2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile
CID 82490743

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium?
The IUPAC name of [(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium (CID 11877261) is [(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium.
What is the SMILES notation for [(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium?
The canonical SMILES for [(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium is Cc1cc(C)c2[nH]cc([C@@H]3CCCC[C@@H]3[NH3+])c2c1.
What is the InChIKey of [(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium?
The InChIKey is MOSRQZQHYDDGSV-WFASDCNBSA-O. The full InChI is InChI=1S/C16H22N2/c1-10-7-11(2)16-13(8-10)14(9-18-16)12-5-3-4-6-15(12)17/h7-9,12,15,18H,3-6,17H2,1-2H3/p+1/t12-,15-/m0/s1.
What are the key properties of [(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium?
[(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium has a molecular weight of 243.37 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(5,7-dimethyl-1H-indol-3-yl)cyclohexyl]azanium is sourced from PubChem (CID 11877261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).