2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine

C18H29N — CID 84637960

IUPAC2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine
SMILESCC(C)(C)c1ccc2c(c1)C(CCN)CCC2(C)C
InChIInChI=1S/C18H29N/c1-17(2,3)14-6-7-16-15(12-14)13(9-11-19)8-10-18(16,4)5/h6-7,12-13H,8-11,19H2,1-5H3
InChIKeyNIQHXSPDQOBJLW-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.49
Rot. Bonds2

About 2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine

2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine (PubChem CID 84637960) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine
PubChem CID84637960
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine
SMILESCC(C)(C)c1ccc2c(c1)C(CCN)CCC2(C)C
InChIInChI=1S/C18H29N/c1-17(2,3)14-6-7-16-15(12-14)13(9-11-19)8-10-18(16,4)5/h6-7,12-13H,8-11,19H2,1-5H3
InChIKeyNIQHXSPDQOBJLW-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine?
The IUPAC name of 2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine (CID 84637960) is 2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine.
What is the SMILES notation for 2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine?
The canonical SMILES for 2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine is CC(C)(C)c1ccc2c(c1)C(CCN)CCC2(C)C.
What is the InChIKey of 2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine?
The InChIKey is NIQHXSPDQOBJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-17(2,3)14-6-7-16-15(12-14)13(9-11-19)8-10-18(16,4)5/h6-7,12-13H,8-11,19H2,1-5H3.
What are the key properties of 2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine?
2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine is sourced from PubChem (CID 84637960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).