[1-[(2-methylindol-1-yl)methyl]cyclobutyl]methanamine

C15H20N2 — CID 84692078

IUPAC[1-[(2-methylindol-1-yl)methyl]cyclobutyl]methanamine
SMILESCc1cc2ccccc2n1CC1(CN)CCC1
InChIInChI=1S/C15H20N2/c1-12-9-13-5-2-3-6-14(13)17(12)11-15(10-16)7-4-8-15/h2-3,5-6,9H,4,7-8,10-11,16H2,1H3
InChIKeyAEAIKXWPWRYRIK-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.08
Rot. Bonds3

About [1-[(2-methylindol-1-yl)methyl]cyclobutyl]methanamine

[1-[(2-methylindol-1-yl)methyl]cyclobutyl]methanamine (PubChem CID 84692078) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [1-[(2-methylindol-1-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(2-methylindol-1-yl)methyl]cyclobutyl]methanamine
PubChem CID84692078
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name[1-[(2-methylindol-1-yl)methyl]cyclobutyl]methanamine
SMILESCc1cc2ccccc2n1CC1(CN)CCC1
InChIInChI=1S/C15H20N2/c1-12-9-13-5-2-3-6-14(13)17(12)11-15(10-16)7-4-8-15/h2-3,5-6,9H,4,7-8,10-11,16H2,1H3
InChIKeyAEAIKXWPWRYRIK-UHFFFAOYSA-N
XLogP3.08
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl 1-[[1-(aminomethyl)cyclobutyl]methyl]indole-2,6-dicarboxylate
CID 67235939
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2-methyl-1-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]indole
CID 92981302
[2-(2-methylindol-1-yl)cyclohexyl]methanamine
CID 43329406
1-but-2-enyl-2-methylindole
CID 77019089
1-(2-ethylbutyl)-2-methylindole
CID 82925203
(2S)-1-(2-methylindol-1-yl)propan-2-ol
CID 177480957
4-[2-(2-methylindol-1-yl)ethyl]aniline
CID 43519624
[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81161158
3-amino-1-(2-methylindol-1-yl)butan-2-ol
CID 67714768
1-(4-bromobutyl)-2-methylindole
CID 14785376
2-methyl-1-tetradecylindole
CID 19869962

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylindol-1-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(2-methylindol-1-yl)methyl]cyclobutyl]methanamine (CID 84692078) is [1-[(2-methylindol-1-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(2-methylindol-1-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(2-methylindol-1-yl)methyl]cyclobutyl]methanamine is Cc1cc2ccccc2n1CC1(CN)CCC1.
What is the InChIKey of [1-[(2-methylindol-1-yl)methyl]cyclobutyl]methanamine?
The InChIKey is AEAIKXWPWRYRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-9-13-5-2-3-6-14(13)17(12)11-15(10-16)7-4-8-15/h2-3,5-6,9H,4,7-8,10-11,16H2,1H3.
What are the key properties of [1-[(2-methylindol-1-yl)methyl]cyclobutyl]methanamine?
[1-[(2-methylindol-1-yl)methyl]cyclobutyl]methanamine has a molecular weight of 228.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylindol-1-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 84692078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).