3-(aminomethyl)-1-propan-2-ylindol-5-amine

C12H17N3 — CID 117175454

IUPAC3-(aminomethyl)-1-propan-2-ylindol-5-amine
SMILESCC(C)n1cc(CN)c2cc(N)ccc21
InChIInChI=1S/C12H17N3/c1-8(2)15-7-9(6-13)11-5-10(14)3-4-12(11)15/h3-5,7-8H,6,13-14H2,1-2H3
InChIKeyUJQNUGDWZJHTMG-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.26
Rot. Bonds2

About 3-(aminomethyl)-1-propan-2-ylindol-5-amine

3-(aminomethyl)-1-propan-2-ylindol-5-amine (PubChem CID 117175454) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-(aminomethyl)-1-propan-2-ylindol-5-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-propan-2-ylindol-5-amine
PubChem CID117175454
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-(aminomethyl)-1-propan-2-ylindol-5-amine
SMILESCC(C)n1cc(CN)c2cc(N)ccc21
InChIInChI=1S/C12H17N3/c1-8(2)15-7-9(6-13)11-5-10(14)3-4-12(11)15/h3-5,7-8H,6,13-14H2,1-2H3
InChIKeyUJQNUGDWZJHTMG-UHFFFAOYSA-N
XLogP2.26
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178738
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine
CID 117175412
(6-chloro-1-propan-2-ylindol-3-yl)methanamine
CID 117122224
[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine
CID 117175354
3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile
CID 105484823
[3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine
CID 117175369
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine
CID 117175409
2-(1-propan-2-ylindol-3-yl)ethanamine
CID 5115445
1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
CID 117178915
2-(5,6-dimethyl-1-propan-2-ylindol-3-yl)ethanamine
CID 83948286
3-ethyl-5-fluoro-1-propan-2-ylindole
CID 155279245
(1-methyl-5-propan-2-ylindol-3-yl)methanamine
CID 82491626

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-propan-2-ylindol-5-amine?
The IUPAC name of 3-(aminomethyl)-1-propan-2-ylindol-5-amine (CID 117175454) is 3-(aminomethyl)-1-propan-2-ylindol-5-amine.
What is the SMILES notation for 3-(aminomethyl)-1-propan-2-ylindol-5-amine?
The canonical SMILES for 3-(aminomethyl)-1-propan-2-ylindol-5-amine is CC(C)n1cc(CN)c2cc(N)ccc21.
What is the InChIKey of 3-(aminomethyl)-1-propan-2-ylindol-5-amine?
The InChIKey is UJQNUGDWZJHTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8(2)15-7-9(6-13)11-5-10(14)3-4-12(11)15/h3-5,7-8H,6,13-14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-propan-2-ylindol-5-amine?
3-(aminomethyl)-1-propan-2-ylindol-5-amine has a molecular weight of 203.29 g/mol, XLogP of 2.26, 2 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-5-amine is sourced from PubChem (CID 117175454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).