2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine

C18H28N2O — CID 82188328

IUPAC2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine
SMILESCc1ccc2c(c1C)OC(C)(C)C(CN1CCCC1)C2N
InChIInChI=1S/C18H28N2O/c1-12-7-8-14-16(19)15(11-20-9-5-6-10-20)18(3,4)21-17(14)13(12)2/h7-8,15-16H,5-6,9-11,19H2,1-4H3
InChIKeyWWDJCZHMHZYJRN-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.19
Rot. Bonds2

About 2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine

2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine (PubChem CID 82188328) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine
PubChem CID82188328
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine
SMILESCc1ccc2c(c1C)OC(C)(C)C(CN1CCCC1)C2N
InChIInChI=1S/C18H28N2O/c1-12-7-8-14-16(19)15(11-20-9-5-6-10-20)18(3,4)21-17(14)13(12)2/h7-8,15-16H,5-6,9-11,19H2,1-4H3
InChIKeyWWDJCZHMHZYJRN-UHFFFAOYSA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine (CID 82188328) is 2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine is Cc1ccc2c(c1C)OC(C)(C)C(CN1CCCC1)C2N.
What is the InChIKey of 2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine?
The InChIKey is WWDJCZHMHZYJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-7-8-14-16(19)15(11-20-9-5-6-10-20)18(3,4)21-17(14)13(12)2/h7-8,15-16H,5-6,9-11,19H2,1-4H3.
What are the key properties of 2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine?
2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine has a molecular weight of 288.44 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82188328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).