2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

C16H21N3 — CID 43211495

IUPAC2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)c1nccn1C1CCc2ccccc2C1N
InChIInChI=1S/C16H21N3/c1-11(2)16-18-9-10-19(16)14-8-7-12-5-3-4-6-13(12)15(14)17/h3-6,9-11,14-15H,7-8,17H2,1-2H3
InChIKeyNZAQQMVOGAOGFH-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.19
Rot. Bonds2

About 2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 43211495) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID43211495
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)c1nccn1C1CCc2ccccc2C1N
InChIInChI=1S/C16H21N3/c1-11(2)16-18-9-10-19(16)14-8-7-12-5-3-4-6-13(12)15(14)17/h3-6,9-11,14-15H,7-8,17H2,1-2H3
InChIKeyNZAQQMVOGAOGFH-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 43211495) is 2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is CC(C)c1nccn1C1CCc2ccccc2C1N.
What is the InChIKey of 2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is NZAQQMVOGAOGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(2)16-18-9-10-19(16)14-8-7-12-5-3-4-6-13(12)15(14)17/h3-6,9-11,14-15H,7-8,17H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43211495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).