[3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine

C13H19N3 — CID 117178738

IUPAC[3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine
SMILESCC(C)n1cc(CN)c2ccc(CN)cc21
InChIInChI=1S/C13H19N3/c1-9(2)16-8-11(7-15)12-4-3-10(6-14)5-13(12)16/h3-5,8-9H,6-7,14-15H2,1-2H3
InChIKeyGXWMYNSTTXRENB-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.14
Rot. Bonds3

About [3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine

[3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine (PubChem CID 117178738) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is [3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine
PubChem CID117178738
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name[3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine
SMILESCC(C)n1cc(CN)c2ccc(CN)cc21
InChIInChI=1S/C13H19N3/c1-9(2)16-8-11(7-15)12-4-3-10(6-14)5-13(12)16/h3-5,8-9H,6-7,14-15H2,1-2H3
InChIKeyGXWMYNSTTXRENB-UHFFFAOYSA-N
XLogP2.14
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178798
(6-chloro-1-propan-2-ylindol-3-yl)methanamine
CID 117122224
N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine
CID 117178730
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine
CID 117175412
[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine
CID 117175354
3-(aminomethyl)-1-propan-2-ylindol-5-amine
CID 117175454
[3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine
CID 117175369
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine
CID 117175409
6-bromo-3-(methylsulfanylmethyl)-1-propan-2-ylindole
CID 117179121
3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid
CID 83946617
O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117196322
(6-fluoro-1-propan-2-ylindol-3-yl)methanethiol
CID 117179135

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine?
The IUPAC name of [3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine (CID 117178738) is [3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine.
What is the SMILES notation for [3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine?
The canonical SMILES for [3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine is CC(C)n1cc(CN)c2ccc(CN)cc21.
What is the InChIKey of [3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine?
The InChIKey is GXWMYNSTTXRENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(2)16-8-11(7-15)12-4-3-10(6-14)5-13(12)16/h3-5,8-9H,6-7,14-15H2,1-2H3.
What are the key properties of [3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine?
[3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine has a molecular weight of 217.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine is sourced from PubChem (CID 117178738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).