(3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine

C11H16N2 — CID 125451382

IUPAC(3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine
SMILESCC[C@@]1(C)CNc2c(N)cccc21
InChIInChI=1S/C11H16N2/c1-3-11(2)7-13-10-8(11)5-4-6-9(10)12/h4-6,13H,3,7,12H2,1-2H3/t11-/m0/s1
InChIKeyBNYNNMHFCWDGKP-NSHDSACASA-N
MW176.26 g/mol
LogP2.36
Rot. Bonds1

About (3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine

(3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine (PubChem CID 125451382) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine.

Molecular Properties

Compound Name(3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine
PubChem CID125451382
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine
SMILESCC[C@@]1(C)CNc2c(N)cccc21
InChIInChI=1S/C11H16N2/c1-3-11(2)7-13-10-8(11)5-4-6-9(10)12/h4-6,13H,3,7,12H2,1-2H3/t11-/m0/s1
InChIKeyBNYNNMHFCWDGKP-NSHDSACASA-N
XLogP2.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine?
The IUPAC name of (3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine (CID 125451382) is (3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine.
What is the SMILES notation for (3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine?
The canonical SMILES for (3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine is CC[C@@]1(C)CNc2c(N)cccc21.
What is the InChIKey of (3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine?
The InChIKey is BNYNNMHFCWDGKP-NSHDSACASA-N. The full InChI is InChI=1S/C11H16N2/c1-3-11(2)7-13-10-8(11)5-4-6-9(10)12/h4-6,13H,3,7,12H2,1-2H3/t11-/m0/s1.
What are the key properties of (3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine?
(3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine has a molecular weight of 176.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine is sourced from PubChem (CID 125451382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).