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

C16H22N2 — CID 107236202

IUPAC2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine
SMILESCn1cc(CNCCC2CCC2)c2ccccc21
InChIInChI=1S/C16H22N2/c1-18-12-14(15-7-2-3-8-16(15)18)11-17-10-9-13-5-4-6-13/h2-3,7-8,12-13,17H,4-6,9-11H2,1H3
InChIKeyBIWHQFCSIFCJJR-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.46
Rot. Bonds5

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

2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine (PubChem CID 107236202) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine
PubChem CID107236202
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine
SMILESCn1cc(CNCCC2CCC2)c2ccccc21
InChIInChI=1S/C16H22N2/c1-18-12-14(15-7-2-3-8-16(15)18)11-17-10-9-13-5-4-6-13/h2-3,7-8,12-13,17H,4-6,9-11H2,1H3
InChIKeyBIWHQFCSIFCJJR-UHFFFAOYSA-N
XLogP3.46
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.46
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-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235324
N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine
CID 107236114
N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 115209330
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
N-[(1-methylindol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 107235936
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
N-[2-(1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82477892
1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine
CID 115117392
N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 107236224
2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine
CID 115748530
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine?
The IUPAC name of 2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine (CID 107236202) is 2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine is Cn1cc(CNCCC2CCC2)c2ccccc21.
What is the InChIKey of 2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine?
The InChIKey is BIWHQFCSIFCJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-18-12-14(15-7-2-3-8-16(15)18)11-17-10-9-13-5-4-6-13/h2-3,7-8,12-13,17H,4-6,9-11H2,1H3.
What are the key properties of 2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine?
2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine has a molecular weight of 242.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine is sourced from PubChem (CID 107236202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).