[1-(1H-indol-4-yl)cyclobutyl]methanamine

C13H16N2 — CID 82607708

IUPAC[1-(1H-indol-4-yl)cyclobutyl]methanamine
SMILESNCC1(c2cccc3[nH]ccc23)CCC1
InChIInChI=1S/C13H16N2/c14-9-13(6-2-7-13)11-3-1-4-12-10(11)5-8-15-12/h1,3-5,8,15H,2,6-7,9,14H2
InChIKeyLONPSADVVDKVGZ-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.55
Rot. Bonds2

About [1-(1H-indol-4-yl)cyclobutyl]methanamine

[1-(1H-indol-4-yl)cyclobutyl]methanamine (PubChem CID 82607708) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is [1-(1H-indol-4-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(1H-indol-4-yl)cyclobutyl]methanamine
PubChem CID82607708
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name[1-(1H-indol-4-yl)cyclobutyl]methanamine
SMILESNCC1(c2cccc3[nH]ccc23)CCC1
InChIInChI=1S/C13H16N2/c14-9-13(6-2-7-13)11-3-1-4-12-10(11)5-8-15-12/h1,3-5,8,15H,2,6-7,9,14H2
InChIKeyLONPSADVVDKVGZ-UHFFFAOYSA-N
XLogP2.55
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(1H-indol-7-yl)cyclohexyl]methanamine
CID 96801849
4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one
CID 117365497
ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
CID 159069082
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
[1-(7-methylnaphthalen-1-yl)cyclobutyl]methanamine
CID 105483290
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117347808
[1-(2-iodophenyl)cyclopentyl]methanamine
CID 70594144
[1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine
CID 115004408
[1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117320226
1-(1H-indol-4-ylmethyl)cyclopropan-1-amine
CID 117280504

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-4-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(1H-indol-4-yl)cyclobutyl]methanamine (CID 82607708) is [1-(1H-indol-4-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(1H-indol-4-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(1H-indol-4-yl)cyclobutyl]methanamine is NCC1(c2cccc3[nH]ccc23)CCC1.
What is the InChIKey of [1-(1H-indol-4-yl)cyclobutyl]methanamine?
The InChIKey is LONPSADVVDKVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c14-9-13(6-2-7-13)11-3-1-4-12-10(11)5-8-15-12/h1,3-5,8,15H,2,6-7,9,14H2.
What are the key properties of [1-(1H-indol-4-yl)cyclobutyl]methanamine?
[1-(1H-indol-4-yl)cyclobutyl]methanamine has a molecular weight of 200.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-4-yl)cyclobutyl]methanamine is sourced from PubChem (CID 82607708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).