2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine

C18H30N2O — CID 106003163

IUPAC2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1CCC1CCCCO1)CC(C)(C)CC2N
InChIInChI=1S/C18H30N2O/c1-13-10-15-16(19)11-18(2,3)12-17(15)20(13)8-7-14-6-4-5-9-21-14/h10,14,16H,4-9,11-12,19H2,1-3H3
InChIKeyLVMDTKBYBORDRX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.73
Rot. Bonds3

About 2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine

2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine (PubChem CID 106003163) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
PubChem CID106003163
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1CCC1CCCCO1)CC(C)(C)CC2N
InChIInChI=1S/C18H30N2O/c1-13-10-15-16(19)11-18(2,3)12-17(15)20(13)8-7-14-6-4-5-9-21-14/h10,14,16H,4-9,11-12,19H2,1-3H3
InChIKeyLVMDTKBYBORDRX-UHFFFAOYSA-N
XLogP3.73
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine (CID 106003163) is 2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine is Cc1cc2c(n1CCC1CCCCO1)CC(C)(C)CC2N.
What is the InChIKey of 2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The InChIKey is LVMDTKBYBORDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13-10-15-16(19)11-18(2,3)12-17(15)20(13)8-7-14-6-4-5-9-21-14/h10,14,16H,4-9,11-12,19H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine?
2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine has a molecular weight of 290.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 106003163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).