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

C18H26N2 — CID 107235324

IUPAC2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
SMILESCn1cc(CNCCC2CCCCC2)c2ccccc21
InChIInChI=1S/C18H26N2/c1-20-14-16(17-9-5-6-10-18(17)20)13-19-12-11-15-7-3-2-4-8-15/h5-6,9-10,14-15,19H,2-4,7-8,11-13H2,1H3
InChIKeyDUUNYSCVUJPERP-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.24
Rot. Bonds5

About 2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine

2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine (PubChem CID 107235324) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
PubChem CID107235324
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
SMILESCn1cc(CNCCC2CCCCC2)c2ccccc21
InChIInChI=1S/C18H26N2/c1-20-14-16(17-9-5-6-10-18(17)20)13-19-12-11-15-7-3-2-4-8-15/h5-6,9-10,14-15,19H,2-4,7-8,11-13H2,1H3
InChIKeyDUUNYSCVUJPERP-UHFFFAOYSA-N
XLogP4.24
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107236202
N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine
CID 107236114
N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 115209330
N-[(1-methylindol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 107235936
N-[2-(1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82477892
2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol
CID 107236127
(1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235981
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine
CID 107235576
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 107236224
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine?
The IUPAC name of 2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine (CID 107235324) is 2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine is Cn1cc(CNCCC2CCCCC2)c2ccccc21.
What is the InChIKey of 2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine?
The InChIKey is DUUNYSCVUJPERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-20-14-16(17-9-5-6-10-18(17)20)13-19-12-11-15-7-3-2-4-8-15/h5-6,9-10,14-15,19H,2-4,7-8,11-13H2,1H3.
What are the key properties of 2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine?
2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine has a molecular weight of 270.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine is sourced from PubChem (CID 107235324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).