1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea

C13H19N3O — CID 165476164

IUPAC1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCc2c(N)cccc21
InChIInChI=1S/C13H19N3O/c1-8(2)15-13(17)16-12-7-6-9-10(12)4-3-5-11(9)14/h3-5,8,12H,6-7,14H2,1-2H3,(H2,15,16,17)
InChIKeyINCWUKMYGVSSOA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.96
Rot. Bonds2

About 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea

1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea (PubChem CID 165476164) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea
PubChem CID165476164
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCc2c(N)cccc21
InChIInChI=1S/C13H19N3O/c1-8(2)15-13(17)16-12-7-6-9-10(12)4-3-5-11(9)14/h3-5,8,12H,6-7,14H2,1-2H3,(H2,15,16,17)
InChIKeyINCWUKMYGVSSOA-UHFFFAOYSA-N
XLogP1.96
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea (CID 165476164) is 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea is CC(C)NC(=O)NC1CCc2c(N)cccc21.
What is the InChIKey of 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea?
The InChIKey is INCWUKMYGVSSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(2)15-13(17)16-12-7-6-9-10(12)4-3-5-11(9)14/h3-5,8,12H,6-7,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea?
1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea has a molecular weight of 233.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea is sourced from PubChem (CID 165476164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).