2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine

C15H20N2 — CID 103748737

IUPAC2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine
SMILESc1cc(CNCCC2CCC2)c2[nH]ccc2c1
InChIInChI=1S/C15H20N2/c1-3-12(4-1)7-9-16-11-14-6-2-5-13-8-10-17-15(13)14/h2,5-6,8,10,12,16-17H,1,3-4,7,9,11H2
InChIKeyFHJFILLGPQHUBN-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.45
Rot. Bonds5

About 2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine

2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine (PubChem CID 103748737) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine
PubChem CID103748737
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine
SMILESc1cc(CNCCC2CCC2)c2[nH]ccc2c1
InChIInChI=1S/C15H20N2/c1-3-12(4-1)7-9-16-11-14-6-2-5-13-8-10-17-15(13)14/h2,5-6,8,10,12,16-17H,1,3-4,7,9,11H2
InChIKeyFHJFILLGPQHUBN-UHFFFAOYSA-N
XLogP3.45
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-[(1H-indol-7-ylmethylamino)methyl]cyclopentyl]methanol
CID 102911296
N-(2-cyclobutylethyl)-1H-indole-7-carboxamide
CID 115687252
N-(1H-indol-7-ylmethyl)-2-methylsulfanylethanamine;hydrochloride
CID 115606849
N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine
CID 115690120
N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
CID 113240682
2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine
CID 113230724
1-[(1H-indol-7-ylmethylamino)methyl]cyclopentan-1-ol
CID 113234393
N-(1H-indol-7-ylmethyl)hex-5-yn-1-amine
CID 103757748
N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
CID 115607465
N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine
CID 115211649
2-[(2-cyclobutylethylamino)methyl]-6-methylphenol
CID 115908380
2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 113478618

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine (CID 103748737) is 2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine is c1cc(CNCCC2CCC2)c2[nH]ccc2c1.
What is the InChIKey of 2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine?
The InChIKey is FHJFILLGPQHUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-12(4-1)7-9-16-11-14-6-2-5-13-8-10-17-15(13)14/h2,5-6,8,10,12,16-17H,1,3-4,7,9,11H2.
What are the key properties of 2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine?
2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine has a molecular weight of 228.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine is sourced from PubChem (CID 103748737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).