1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine

C15H21NO — CID 117334916

IUPAC1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine
SMILESCC1(C)CCc2ccc(C3(N)CCC3)cc2O1
InChIInChI=1S/C15H21NO/c1-14(2)9-6-11-4-5-12(10-13(11)17-14)15(16)7-3-8-15/h4-5,10H,3,6-9,16H2,1-2H3
InChIKeyKOKJFEWOUQPHEJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.13
Rot. Bonds1

About 1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine

1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine (PubChem CID 117334916) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine
PubChem CID117334916
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine
SMILESCC1(C)CCc2ccc(C3(N)CCC3)cc2O1
InChIInChI=1S/C15H21NO/c1-14(2)9-6-11-4-5-12(10-13(11)17-14)15(16)7-3-8-15/h4-5,10H,3,6-9,16H2,1-2H3
InChIKeyKOKJFEWOUQPHEJ-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine?
The IUPAC name of 1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine (CID 117334916) is 1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine is CC1(C)CCc2ccc(C3(N)CCC3)cc2O1.
What is the InChIKey of 1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine?
The InChIKey is KOKJFEWOUQPHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-14(2)9-6-11-4-5-12(10-13(11)17-14)15(16)7-3-8-15/h4-5,10H,3,6-9,16H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine?
1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3,4-dihydrochromen-7-yl)cyclobutan-1-amine is sourced from PubChem (CID 117334916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).