3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine

C20H33N — CID 116525828

IUPAC3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine
SMILESCC(C)(C)CC(N)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C20H33N/c1-18(2,3)13-17(21)14-8-9-15-16(12-14)20(6,7)11-10-19(15,4)5/h8-9,12,17H,10-11,13,21H2,1-7H3
InChIKeyHZUQONJKKGHICQ-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.47
Rot. Bonds2

About 3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine

3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine (PubChem CID 116525828) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine
PubChem CID116525828
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine
SMILESCC(C)(C)CC(N)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C20H33N/c1-18(2,3)13-17(21)14-8-9-15-16(12-14)20(6,7)11-10-19(15,4)5/h8-9,12,17H,10-11,13,21H2,1-7H3
InChIKeyHZUQONJKKGHICQ-UHFFFAOYSA-N
XLogP5.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine (CID 116525828) is 3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine is CC(C)(C)CC(N)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine?
The InChIKey is HZUQONJKKGHICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-18(2,3)13-17(21)14-8-9-15-16(12-14)20(6,7)11-10-19(15,4)5/h8-9,12,17H,10-11,13,21H2,1-7H3.
What are the key properties of 3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine?
3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine is sourced from PubChem (CID 116525828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).