2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium

C17H25N2+ — CID 7445932

IUPAC2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium
SMILESC[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C17H24N2/c1-13-5-4-6-15(11-13)18-10-9-14-12-19-17-8-3-2-7-16(14)17/h2-3,7-8,12-13,15,18-19H,4-6,9-11H2,1H3/p+1/t13-,15-/m1/s1
InChIKeyCAKPKLPFTPLQEJ-UKRRQHHQSA-O
MW257.40 g/mol
LogP2.85
Rot. Bonds4

About 2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium

2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium (PubChem CID 7445932) has the molecular formula C17H25N2+ and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium
PubChem CID7445932
Molecular FormulaC17H25N2+
Molecular Weight257.40 g/mol
Exact Mass257.20
IUPAC Name2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium
SMILESC[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C17H24N2/c1-13-5-4-6-15(11-13)18-10-9-14-12-19-17-8-3-2-7-16(14)17/h2-3,7-8,12-13,15,18-19H,4-6,9-11H2,1H3/p+1/t13-,15-/m1/s1
InChIKeyCAKPKLPFTPLQEJ-UKRRQHHQSA-O
XLogP2.85
TPSA32.40 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

cyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium
CID 6935303
2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium
CID 6983297
3-(1H-indol-3-yl)-N-(3-methylcyclohexyl)propanamide
CID 43420888
N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43078792
3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 35220767
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
N-(1H-indol-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 55062011
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
N-(1H-indol-3-ylmethyl)-2-methylcyclopropan-1-amine
CID 62396352
3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995348
3-heptyl-1H-indole
CID 15360907
2-(1H-indol-3-yl)-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107420241

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium?
The IUPAC name of 2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium (CID 7445932) is 2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium.
What is the SMILES notation for 2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium?
The canonical SMILES for 2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium is C[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C1.
What is the InChIKey of 2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium?
The InChIKey is CAKPKLPFTPLQEJ-UKRRQHHQSA-O. The full InChI is InChI=1S/C17H24N2/c1-13-5-4-6-15(11-13)18-10-9-14-12-19-17-8-3-2-7-16(14)17/h2-3,7-8,12-13,15,18-19H,4-6,9-11H2,1H3/p+1/t13-,15-/m1/s1.
What are the key properties of 2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium?
2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium has a molecular weight of 257.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium is sourced from PubChem (CID 7445932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).