6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine

C15H23NO — CID 64696862

IUPAC6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCC1(C)CC(N)c2cc(C(C)(C)C)ccc2O1
InChIInChI=1S/C15H23NO/c1-14(2,3)10-6-7-13-11(8-10)12(16)9-15(4,5)17-13/h6-8,12H,9,16H2,1-5H3
InChIKeySKEVJFAMMSEZFD-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.55
Rot. Bonds

About 6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine

6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 64696862) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID64696862
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCC1(C)CC(N)c2cc(C(C)(C)C)ccc2O1
InChIInChI=1S/C15H23NO/c1-14(2,3)10-6-7-13-11(8-10)12(16)9-15(4,5)17-13/h6-8,12H,9,16H2,1-5H3
InChIKeySKEVJFAMMSEZFD-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 64696862) is 6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine is CC1(C)CC(N)c2cc(C(C)(C)C)ccc2O1.
What is the InChIKey of 6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is SKEVJFAMMSEZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2,3)10-6-7-13-11(8-10)12(16)9-15(4,5)17-13/h6-8,12H,9,16H2,1-5H3.
What are the key properties of 6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 233.35 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 64696862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).