3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine

C13H17N3 — CID 116937352

IUPAC3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine
SMILESNC1CC(C(N)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C13H17N3/c14-9-5-8(6-9)13(15)11-7-16-12-4-2-1-3-10(11)12/h1-4,7-9,13,16H,5-6,14-15H2
InChIKeyJPURVFWZFLVRMX-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.90
Rot. Bonds2

About 3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine

3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 116937352) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine
PubChem CID116937352
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine
SMILESNC1CC(C(N)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C13H17N3/c14-9-5-8(6-9)13(15)11-7-16-12-4-2-1-3-10(11)12/h1-4,7-9,13,16H,5-6,14-15H2
InChIKeyJPURVFWZFLVRMX-UHFFFAOYSA-N
XLogP1.90
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-3-yl(oxan-3-yl)methanamine
CID 112742639
2-amino-2-(1H-indol-3-yl)acetyl chloride
CID 88673710
(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
CID 175028483
(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
1-(1H-indol-3-yl)prop-2-en-1-amine
CID 55294436
(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine
CID 42553559
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
CID 171197987
(1S)-1-(1H-indol-3-yl)but-3-en-1-amine
CID 55270742
3-propan-2-yl-1H-indole
CID 12534824
3-(1-cyclohexylpropyl)-1H-indole
CID 174511167

Frequently Asked Questions

What is the IUPAC name of 3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine (CID 116937352) is 3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine is NC1CC(C(N)c2c[nH]c3ccccc23)C1.
What is the InChIKey of 3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is JPURVFWZFLVRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-9-5-8(6-9)13(15)11-7-16-12-4-2-1-3-10(11)12/h1-4,7-9,13,16H,5-6,14-15H2.
What are the key properties of 3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine?
3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116937352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).