N-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C18H29N — CID 43222596

IUPACN-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCC(CC)CNC1CCc2ccccc2C1
InChIInChI=1S/C18H29N/c1-3-5-8-15(4-2)14-19-18-12-11-16-9-6-7-10-17(16)13-18/h6-7,9-10,15,18-19H,3-5,8,11-14H2,1-2H3
InChIKeyNLTIZDBPGXJGPZ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.35
Rot. Bonds7

About N-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine

N-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 43222596) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID43222596
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCC(CC)CNC1CCc2ccccc2C1
InChIInChI=1S/C18H29N/c1-3-5-8-15(4-2)14-19-18-12-11-16-9-6-7-10-17(16)13-18/h6-7,9-10,15,18-19H,3-5,8,11-14H2,1-2H3
InChIKeyNLTIZDBPGXJGPZ-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 43222596) is N-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CCCCC(CC)CNC1CCc2ccccc2C1.
What is the InChIKey of N-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is NLTIZDBPGXJGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-5-8-15(4-2)14-19-18-12-11-16-9-6-7-10-17(16)13-18/h6-7,9-10,15,18-19H,3-5,8,11-14H2,1-2H3.
What are the key properties of N-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 259.44 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 43222596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).