1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea

C11H15N3O — CID 115192342

IUPAC1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
SMILESNNC(=O)Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C11H15N3O/c12-14-11(15)13-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4,12H2,(H2,13,14,15)
InChIKeyLMLIQVCQYQYTBX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.56
Rot. Bonds1

About 1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea

1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea (PubChem CID 115192342) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea.

Molecular Properties

Compound Name1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
PubChem CID115192342
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
SMILESNNC(=O)Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C11H15N3O/c12-14-11(15)13-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4,12H2,(H2,13,14,15)
InChIKeyLMLIQVCQYQYTBX-UHFFFAOYSA-N
XLogP1.56
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 43163947
1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
CID 17250078
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea
CID 17282136
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 115166897
3-amino-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobutane-1-carboxamide
CID 115161265
1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 3271031
1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 47132834
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
1-amino-3-(2,3-dihydro-1H-inden-5-yl)-2-methylguanidine
CID 116510668
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea?
The IUPAC name of 1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea (CID 115192342) is 1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea.
What is the SMILES notation for 1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea?
The canonical SMILES for 1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea is NNC(=O)Nc1ccc2c(c1)CCCC2.
What is the InChIKey of 1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea?
The InChIKey is LMLIQVCQYQYTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-14-11(15)13-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4,12H2,(H2,13,14,15).
What are the key properties of 1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea?
1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea has a molecular weight of 205.26 g/mol, XLogP of 1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea is sourced from PubChem (CID 115192342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).