(2-adamantylideneamino)urea

C11H17N3O — CID 541478

IUPAC(2-adamantylideneamino)urea
SMILESNC(=O)NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H17N3O/c12-11(15)14-13-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2,(H3,12,14,15)/b13-10-
InChIKeyFGCLPJDRGFEIPU-RAXLEYEMSA-N
MW207.28 g/mol
LogP1.47
Rot. Bonds1

About (2-adamantylideneamino)urea

(2-adamantylideneamino)urea (PubChem CID 541478) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2-adamantylideneamino)urea.

Molecular Properties

Compound Name(2-adamantylideneamino)urea
PubChem CID541478
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2-adamantylideneamino)urea
SMILESNC(=O)NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H17N3O/c12-11(15)14-13-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2,(H3,12,14,15)/b13-10-
InChIKeyFGCLPJDRGFEIPU-RAXLEYEMSA-N
XLogP1.47
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.47
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 (2-adamantylideneamino)urea?
The IUPAC name of (2-adamantylideneamino)urea (CID 541478) is (2-adamantylideneamino)urea.
What is the SMILES notation for (2-adamantylideneamino)urea?
The canonical SMILES for (2-adamantylideneamino)urea is NC(=O)NN=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of (2-adamantylideneamino)urea?
The InChIKey is FGCLPJDRGFEIPU-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H17N3O/c12-11(15)14-13-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2,(H3,12,14,15)/b13-10-.
What are the key properties of (2-adamantylideneamino)urea?
(2-adamantylideneamino)urea has a molecular weight of 207.28 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-adamantylideneamino)urea is sourced from PubChem (CID 541478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).