3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine

C12H17N3 — CID 174508163

IUPAC3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine
SMILESCC(C)(CN)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C12H17N3/c1-12(2,7-13)10-6-15-11-4-3-8(14)5-9(10)11/h3-6,15H,7,13-14H2,1-2H3
InChIKeyYHPDGKXKIBTJST-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.99
Rot. Bonds2

About 3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine

3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine (PubChem CID 174508163) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine.

Molecular Properties

Compound Name3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine
PubChem CID174508163
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine
SMILESCC(C)(CN)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C12H17N3/c1-12(2,7-13)10-6-15-11-4-3-8(14)5-9(10)11/h3-6,15H,7,13-14H2,1-2H3
InChIKeyYHPDGKXKIBTJST-UHFFFAOYSA-N
XLogP1.99
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine
CID 82497725
3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride
CID 174431068
3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84627056
4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline
CID 69044603
ethyl 2-(5-amino-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 134821319
3-propan-2-yl-1H-indol-5-amine
CID 90162786
5-methoxy-3-(2-methylbutan-2-yl)-1H-indole
CID 106985577
2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine
CID 89071346
2-(4,6-dimethyl-1H-indol-3-yl)-2-methylpropan-1-amine
CID 82493165
5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide
CID 64853040
5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine?
The IUPAC name of 3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine (CID 174508163) is 3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine.
What is the SMILES notation for 3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine?
The canonical SMILES for 3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine is CC(C)(CN)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine?
The InChIKey is YHPDGKXKIBTJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-12(2,7-13)10-6-15-11-4-3-8(14)5-9(10)11/h3-6,15H,7,13-14H2,1-2H3.
What are the key properties of 3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine?
3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine has a molecular weight of 203.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine is sourced from PubChem (CID 174508163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).