3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine

C18H30N2O — CID 82188326

IUPAC3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine
SMILESCCN(CC)CC1C(N)c2ccc(C)c(C)c2OC1(C)C
InChIInChI=1S/C18H30N2O/c1-7-20(8-2)11-15-16(19)14-10-9-12(3)13(4)17(14)21-18(15,5)6/h9-10,15-16H,7-8,11,19H2,1-6H3
InChIKeySVSHVVVFVLTFPC-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.43
Rot. Bonds4

About 3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine

3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine (PubChem CID 82188326) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine
PubChem CID82188326
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine
SMILESCCN(CC)CC1C(N)c2ccc(C)c(C)c2OC1(C)C
InChIInChI=1S/C18H30N2O/c1-7-20(8-2)11-15-16(19)14-10-9-12(3)13(4)17(14)21-18(15,5)6/h9-10,15-16H,7-8,11,19H2,1-6H3
InChIKeySVSHVVVFVLTFPC-UHFFFAOYSA-N
XLogP3.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine (CID 82188326) is 3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine is CCN(CC)CC1C(N)c2ccc(C)c(C)c2OC1(C)C.
What is the InChIKey of 3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine?
The InChIKey is SVSHVVVFVLTFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-7-20(8-2)11-15-16(19)14-10-9-12(3)13(4)17(14)21-18(15,5)6/h9-10,15-16H,7-8,11,19H2,1-6H3.
What are the key properties of 3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine?
3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine has a molecular weight of 290.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82188326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).