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

C18H30N2O — CID 83035477

IUPAC1-(2,2-dimethyloxan-4-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1C1CCOC(C)(C)C1)CC(C)(C)CC2N
InChIInChI=1S/C18H30N2O/c1-12-8-14-15(19)10-17(2,3)11-16(14)20(12)13-6-7-21-18(4,5)9-13/h8,13,15H,6-7,9-11,19H2,1-5H3
InChIKeyKYIXRVJCYILFIA-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.90
Rot. Bonds1

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

1-(2,2-dimethyloxan-4-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 83035477) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID83035477
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(2,2-dimethyloxan-4-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1C1CCOC(C)(C)C1)CC(C)(C)CC2N
InChIInChI=1S/C18H30N2O/c1-12-8-14-15(19)10-17(2,3)11-16(14)20(12)13-6-7-21-18(4,5)9-13/h8,13,15H,6-7,9-11,19H2,1-5H3
InChIKeyKYIXRVJCYILFIA-UHFFFAOYSA-N
XLogP3.90
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (CID 83035477) is 1-(2,2-dimethyloxan-4-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine is Cc1cc2c(n1C1CCOC(C)(C)C1)CC(C)(C)CC2N.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is KYIXRVJCYILFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-12-8-14-15(19)10-17(2,3)11-16(14)20(12)13-6-7-21-18(4,5)9-13/h8,13,15H,6-7,9-11,19H2,1-5H3.
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
1-(2,2-dimethyloxan-4-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 290.45 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 83035477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).