1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine

C19H31N — CID 116525818

IUPAC1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine
SMILESCCCCC(N)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H31N/c1-6-7-8-17(20)14-9-10-15-16(13-14)19(4,5)12-11-18(15,2)3/h9-10,13,17H,6-8,11-12,20H2,1-5H3
InChIKeyMHRXIQRPSAVKPZ-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.23
Rot. Bonds4

About 1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine

1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine (PubChem CID 116525818) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine
PubChem CID116525818
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine
SMILESCCCCC(N)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H31N/c1-6-7-8-17(20)14-9-10-15-16(13-14)19(4,5)12-11-18(15,2)3/h9-10,13,17H,6-8,11-12,20H2,1-5H3
InChIKeyMHRXIQRPSAVKPZ-UHFFFAOYSA-N
XLogP5.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine?
The IUPAC name of 1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine (CID 116525818) is 1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine.
What is the SMILES notation for 1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine?
The canonical SMILES for 1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine is CCCCC(N)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine?
The InChIKey is MHRXIQRPSAVKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-6-7-8-17(20)14-9-10-15-16(13-14)19(4,5)12-11-18(15,2)3/h9-10,13,17H,6-8,11-12,20H2,1-5H3.
What are the key properties of 1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine?
1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine is sourced from PubChem (CID 116525818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).