1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine

C18H31N3 — CID 83016943

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1N1C(C)CCCC1C)CC(C)(C)CC2N
InChIInChI=1S/C18H31N3/c1-12-7-6-8-13(2)20(12)21-14(3)9-15-16(19)10-18(4,5)11-17(15)21/h9,12-13,16H,6-8,10-11,19H2,1-5H3
InChIKeyBTTNOVNOCHYLNP-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.67
Rot. Bonds1

About 1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine

1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 83016943) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID83016943
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1N1C(C)CCCC1C)CC(C)(C)CC2N
InChIInChI=1S/C18H31N3/c1-12-7-6-8-13(2)20(12)21-14(3)9-15-16(19)10-18(4,5)11-17(15)21/h9,12-13,16H,6-8,10-11,19H2,1-5H3
InChIKeyBTTNOVNOCHYLNP-UHFFFAOYSA-N
XLogP3.67
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (CID 83016943) is 1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine is Cc1cc2c(n1N1C(C)CCCC1C)CC(C)(C)CC2N.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is BTTNOVNOCHYLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-12-7-6-8-13(2)20(12)21-14(3)9-15-16(19)10-18(4,5)11-17(15)21/h9,12-13,16H,6-8,10-11,19H2,1-5H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 289.47 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 83016943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).