3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine

C17H27N3 — CID 66688854

IUPAC3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine
SMILESCC(C1CCNCC1)N1CC(C)(C)c2ccc(N)cc21
InChIInChI=1S/C17H27N3/c1-12(13-6-8-19-9-7-13)20-11-17(2,3)15-5-4-14(18)10-16(15)20/h4-5,10,12-13,19H,6-9,11,18H2,1-3H3
InChIKeyMTFNPAVOXIWLBJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.75
Rot. Bonds2

About 3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine

3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine (PubChem CID 66688854) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine
PubChem CID66688854
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine
SMILESCC(C1CCNCC1)N1CC(C)(C)c2ccc(N)cc21
InChIInChI=1S/C17H27N3/c1-12(13-6-8-19-9-7-13)20-11-17(2,3)15-5-4-14(18)10-16(15)20/h4-5,10,12-13,19H,6-9,11,18H2,1-3H3
InChIKeyMTFNPAVOXIWLBJ-UHFFFAOYSA-N
XLogP2.75
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine?
The IUPAC name of 3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine (CID 66688854) is 3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine.
What is the SMILES notation for 3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine?
The canonical SMILES for 3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine is CC(C1CCNCC1)N1CC(C)(C)c2ccc(N)cc21.
What is the InChIKey of 3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine?
The InChIKey is MTFNPAVOXIWLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-12(13-6-8-19-9-7-13)20-11-17(2,3)15-5-4-14(18)10-16(15)20/h4-5,10,12-13,19H,6-9,11,18H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine?
3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine has a molecular weight of 273.42 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-piperidin-4-ylethyl)-2H-indol-6-amine is sourced from PubChem (CID 66688854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).