(1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine

C18H26N2 — CID 107235981

IUPAC(1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
SMILESC[C@H](NCc1cn(C)c2ccccc12)C1CCCCC1
InChIInChI=1S/C18H26N2/c1-14(15-8-4-3-5-9-15)19-12-16-13-20(2)18-11-7-6-10-17(16)18/h6-7,10-11,13-15,19H,3-5,8-9,12H2,1-2H3/t14-/m0/s1
InChIKeyXFQCGCQJSLOJOC-AWEZNQCLSA-N
MW270.42 g/mol
LogP4.24
Rot. Bonds4

About (1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine

(1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine (PubChem CID 107235981) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
PubChem CID107235981
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
SMILESC[C@H](NCc1cn(C)c2ccccc12)C1CCCCC1
InChIInChI=1S/C18H26N2/c1-14(15-8-4-3-5-9-15)19-12-16-13-20(2)18-11-7-6-10-17(16)18/h6-7,10-11,13-15,19H,3-5,8-9,12H2,1-2H3/t14-/m0/s1
InChIKeyXFQCGCQJSLOJOC-AWEZNQCLSA-N
XLogP4.24
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824
2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol
CID 107236127
2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235324
(1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
CID 107235986
N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine
CID 107236114
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
1-cyclohexyl-N-(1H-indol-3-ylmethyl)ethanamine
CID 62407326
(1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine
CID 22858930
N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
CID 63453704
N-[2-(1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82477892
1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 62405544
4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine (CID 107235981) is (1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine is C[C@H](NCc1cn(C)c2ccccc12)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine?
The InChIKey is XFQCGCQJSLOJOC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2/c1-14(15-8-4-3-5-9-15)19-12-16-13-20(2)18-11-7-6-10-17(16)18/h6-7,10-11,13-15,19H,3-5,8-9,12H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine?
(1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine has a molecular weight of 270.42 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine is sourced from PubChem (CID 107235981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).