1-(1-aminopentylidene)-3-(4-methylphenyl)urea

C13H19N3O — CID 54427017

IUPAC1-(1-aminopentylidene)-3-(4-methylphenyl)urea
SMILESCCCCC(N)=NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H19N3O/c1-3-4-5-12(14)16-13(17)15-11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3,(H3,14,15,16,17)
InChIKeyWEUXTQMOVSWYSQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.07
Rot. Bonds4

About 1-(1-aminopentylidene)-3-(4-methylphenyl)urea

1-(1-aminopentylidene)-3-(4-methylphenyl)urea (PubChem CID 54427017) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(1-aminopentylidene)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(1-aminopentylidene)-3-(4-methylphenyl)urea
PubChem CID54427017
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(1-aminopentylidene)-3-(4-methylphenyl)urea
SMILESCCCCC(N)=NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H19N3O/c1-3-4-5-12(14)16-13(17)15-11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3,(H3,14,15,16,17)
InChIKeyWEUXTQMOVSWYSQ-UHFFFAOYSA-N
XLogP3.07
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)pentanamide
CID 3662375
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
1-(4-amino-4-hydroxyiminobutyl)-3-(4-methylphenyl)urea
CID 76953357
1-butoxy-3-(4-methylphenyl)urea
CID 5118852
N-[4-(methylamino)phenyl]pentanamide
CID 71040406
1-(4-methylphenyl)-3-(octanoylamino)thiourea
CID 86107669
hexyl (Z)-4-(4-methylanilino)-4-oxobut-2-enoate
CID 139644323
(2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide
CID 101373282
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
1-[butylamino-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10571795

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopentylidene)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(1-aminopentylidene)-3-(4-methylphenyl)urea (CID 54427017) is 1-(1-aminopentylidene)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(1-aminopentylidene)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(1-aminopentylidene)-3-(4-methylphenyl)urea is CCCCC(N)=NC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-(1-aminopentylidene)-3-(4-methylphenyl)urea?
The InChIKey is WEUXTQMOVSWYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-4-5-12(14)16-13(17)15-11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 1-(1-aminopentylidene)-3-(4-methylphenyl)urea?
1-(1-aminopentylidene)-3-(4-methylphenyl)urea has a molecular weight of 233.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopentylidene)-3-(4-methylphenyl)urea is sourced from PubChem (CID 54427017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).