3-propan-2-yl-1H-indol-6-amine

C11H14N2 — CID 45117013

IUPAC3-propan-2-yl-1H-indol-6-amine
SMILESCC(C)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C11H14N2/c1-7(2)10-6-13-11-5-8(12)3-4-9(10)11/h3-7,13H,12H2,1-2H3
InChIKeyZLQSNQUTPLKHMV-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.87
Rot. Bonds1

About 3-propan-2-yl-1H-indol-6-amine

3-propan-2-yl-1H-indol-6-amine (PubChem CID 45117013) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-propan-2-yl-1H-indol-6-amine.

Molecular Properties

Compound Name3-propan-2-yl-1H-indol-6-amine
PubChem CID45117013
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-propan-2-yl-1H-indol-6-amine
SMILESCC(C)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C11H14N2/c1-7(2)10-6-13-11-5-8(12)3-4-9(10)11/h3-7,13H,12H2,1-2H3
InChIKeyZLQSNQUTPLKHMV-UHFFFAOYSA-N
XLogP2.87
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yl-1H-indol-5-amine
CID 90162786
1-(6-amino-1H-indol-3-yl)ethyl formate
CID 174775620
1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine
CID 119082213
(3-propan-2-yl-1H-indol-6-yl)methanamine
CID 115017611
3-propan-2-yl-1H-indole
CID 12534824
3-[(propan-2-ylamino)methyl]-1H-indol-6-amine
CID 117178576
(1S)-1-(6-methyl-1H-indol-3-yl)ethanamine
CID 82759015
3-(4-aminophenyl)-1H-indol-6-amine
CID 67112268
(1R)-1-(6-chloro-1H-indol-3-yl)ethanamine
CID 82759126
3-isocyano-1H-indol-6-amine
CID 167419875
3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline
CID 22669700
6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide
CID 62334013

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1H-indol-6-amine?
The IUPAC name of 3-propan-2-yl-1H-indol-6-amine (CID 45117013) is 3-propan-2-yl-1H-indol-6-amine.
What is the SMILES notation for 3-propan-2-yl-1H-indol-6-amine?
The canonical SMILES for 3-propan-2-yl-1H-indol-6-amine is CC(C)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 3-propan-2-yl-1H-indol-6-amine?
The InChIKey is ZLQSNQUTPLKHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-7(2)10-6-13-11-5-8(12)3-4-9(10)11/h3-7,13H,12H2,1-2H3.
What are the key properties of 3-propan-2-yl-1H-indol-6-amine?
3-propan-2-yl-1H-indol-6-amine has a molecular weight of 174.25 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1H-indol-6-amine is sourced from PubChem (CID 45117013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).