[(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea

C15H27N3O — CID 5332169

IUPAC[(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea
SMILESC/C(CCCC1C2CCC(C2)C1(C)C)=N/NC(N)=O
InChIInChI=1S/C15H27N3O/c1-10(17-18-14(16)19)5-4-6-13-11-7-8-12(9-11)15(13,2)3/h11-13H,4-9H2,1-3H3,(H3,16,18,19)/b17-10-
InChIKeyYALFBPKIPIVCOZ-YVLHZVERSA-N
MW265.40 g/mol
LogP3.27
Rot. Bonds5

About [(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea

[(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea (PubChem CID 5332169) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is [(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea.

Molecular Properties

Compound Name[(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea
PubChem CID5332169
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name[(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea
SMILESC/C(CCCC1C2CCC(C2)C1(C)C)=N/NC(N)=O
InChIInChI=1S/C15H27N3O/c1-10(17-18-14(16)19)5-4-6-13-11-7-8-12(9-11)15(13,2)3/h11-13H,4-9H2,1-3H3,(H3,16,18,19)/b17-10-
InChIKeyYALFBPKIPIVCOZ-YVLHZVERSA-N
XLogP3.27
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.27
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 [(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea?
The IUPAC name of [(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea (CID 5332169) is [(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea.
What is the SMILES notation for [(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea?
The canonical SMILES for [(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea is C/C(CCCC1C2CCC(C2)C1(C)C)=N/NC(N)=O.
What is the InChIKey of [(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea?
The InChIKey is YALFBPKIPIVCOZ-YVLHZVERSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(17-18-14(16)19)5-4-6-13-11-7-8-12(9-11)15(13,2)3/h11-13H,4-9H2,1-3H3,(H3,16,18,19)/b17-10-.
What are the key properties of [(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea?
[(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea has a molecular weight of 265.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea is sourced from PubChem (CID 5332169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).