[1-(1-adamantyl)propan-2-ylideneamino]urea

C14H23N3O — CID 3895439

IUPAC[1-(1-adamantyl)propan-2-ylideneamino]urea
SMILESCC(CC12CC3CC(CC(C3)C1)C2)=NNC(N)=O
InChIInChI=1S/C14H23N3O/c1-9(16-17-13(15)18)5-14-6-10-2-11(7-14)4-12(3-10)8-14/h10-12H,2-8H2,1H3,(H3,15,17,18)
InChIKeyFOJQSEQZHLCHKS-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.64
Rot. Bonds3

About [1-(1-adamantyl)propan-2-ylideneamino]urea

[1-(1-adamantyl)propan-2-ylideneamino]urea (PubChem CID 3895439) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-(1-adamantyl)propan-2-ylideneamino]urea.

Molecular Properties

Compound Name[1-(1-adamantyl)propan-2-ylideneamino]urea
PubChem CID3895439
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-(1-adamantyl)propan-2-ylideneamino]urea
SMILESCC(CC12CC3CC(CC(C3)C1)C2)=NNC(N)=O
InChIInChI=1S/C14H23N3O/c1-9(16-17-13(15)18)5-14-6-10-2-11(7-14)4-12(3-10)8-14/h10-12H,2-8H2,1H3,(H3,15,17,18)
InChIKeyFOJQSEQZHLCHKS-UHFFFAOYSA-N
XLogP2.64
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(1-adamantyl)propan-2-ylideneamino]urea?
The IUPAC name of [1-(1-adamantyl)propan-2-ylideneamino]urea (CID 3895439) is [1-(1-adamantyl)propan-2-ylideneamino]urea.
What is the SMILES notation for [1-(1-adamantyl)propan-2-ylideneamino]urea?
The canonical SMILES for [1-(1-adamantyl)propan-2-ylideneamino]urea is CC(CC12CC3CC(CC(C3)C1)C2)=NNC(N)=O.
What is the InChIKey of [1-(1-adamantyl)propan-2-ylideneamino]urea?
The InChIKey is FOJQSEQZHLCHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(16-17-13(15)18)5-14-6-10-2-11(7-14)4-12(3-10)8-14/h10-12H,2-8H2,1H3,(H3,15,17,18).
What are the key properties of [1-(1-adamantyl)propan-2-ylideneamino]urea?
[1-(1-adamantyl)propan-2-ylideneamino]urea has a molecular weight of 249.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-adamantyl)propan-2-ylideneamino]urea is sourced from PubChem (CID 3895439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).