3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea

C13H19N3O — CID 116650161

IUPAC3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCCc2cc(N)ccc21
InChIInChI=1S/C13H19N3O/c1-16(2)13(17)15-12-5-3-4-9-8-10(14)6-7-11(9)12/h6-8,12H,3-5,14H2,1-2H3,(H,15,17)
InChIKeyIMYQOZLNINPJKW-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.92
Rot. Bonds1

About 3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea

3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea (PubChem CID 116650161) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
PubChem CID116650161
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCCc2cc(N)ccc21
InChIInChI=1S/C13H19N3O/c1-16(2)13(17)15-12-5-3-4-9-8-10(14)6-7-11(9)12/h6-8,12H,3-5,14H2,1-2H3,(H,15,17)
InChIKeyIMYQOZLNINPJKW-UHFFFAOYSA-N
XLogP1.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide
CID 116649806
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide
CID 116649753
(Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide
CID 116649737
4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide
CID 116649780
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide
CID 116649897
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide
CID 116649772
3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
CID 122081064
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
CID 116649879
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 116649864
methyl 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]acetate
CID 116650191
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-1H-pyrrole-2-carboxamide
CID 116649798

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea?
The IUPAC name of 3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea (CID 116650161) is 3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea is CN(C)C(=O)NC1CCCc2cc(N)ccc21.
What is the InChIKey of 3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea?
The InChIKey is IMYQOZLNINPJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(2)13(17)15-12-5-3-4-9-8-10(14)6-7-11(9)12/h6-8,12H,3-5,14H2,1-2H3,(H,15,17).
What are the key properties of 3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea?
3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea has a molecular weight of 233.31 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea is sourced from PubChem (CID 116650161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).