1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea

C13H17N3O — CID 110490977

IUPAC1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea
SMILESNc1cccc(C2(NC(=O)NC3CC3)CC2)c1
InChIInChI=1S/C13H17N3O/c14-10-3-1-2-9(8-10)13(6-7-13)16-12(17)15-11-4-5-11/h1-3,8,11H,4-7,14H2,(H2,15,16,17)
InChIKeyIRRLWHBYHWVSIY-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.72
Rot. Bonds3

About 1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea

1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea (PubChem CID 110490977) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea
PubChem CID110490977
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea
SMILESNc1cccc(C2(NC(=O)NC3CC3)CC2)c1
InChIInChI=1S/C13H17N3O/c14-10-3-1-2-9(8-10)13(6-7-13)16-12(17)15-11-4-5-11/h1-3,8,11H,4-7,14H2,(H2,15,16,17)
InChIKeyIRRLWHBYHWVSIY-UHFFFAOYSA-N
XLogP1.72
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea
CID 110491033
1-cyclopropyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
CID 110469915
1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea
CID 110490986
4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023436
2-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]-3-hydroxypropanoic acid
CID 110490983
1-[1-(3-aminophenyl)cyclopropyl]-3-(2,2-dimethoxyethyl)urea
CID 110491014
N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide
CID 110491003
4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024059
1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea
CID 110469627
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
CID 22981091
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023334

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea?
The IUPAC name of 1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea (CID 110490977) is 1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea?
The canonical SMILES for 1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea is Nc1cccc(C2(NC(=O)NC3CC3)CC2)c1.
What is the InChIKey of 1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea?
The InChIKey is IRRLWHBYHWVSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-10-3-1-2-9(8-10)13(6-7-13)16-12(17)15-11-4-5-11/h1-3,8,11H,4-7,14H2,(H2,15,16,17).
What are the key properties of 1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea?
1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea has a molecular weight of 231.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea is sourced from PubChem (CID 110490977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).