[(E)-2,2,5-trimethylhex-4-enylideneamino]urea

C10H19N3O — CID 6881178

IUPAC[(E)-2,2,5-trimethylhex-4-enylideneamino]urea
SMILESCC(C)=CCC(C)(C)/C=N/NC(N)=O
InChIInChI=1S/C10H19N3O/c1-8(2)5-6-10(3,4)7-12-13-9(11)14/h5,7H,6H2,1-4H3,(H3,11,13,14)/b12-7+
InChIKeyRYKCGRCUMVCFQM-KPKJPENVSA-N
MW197.28 g/mol
LogP2.02
Rot. Bonds4

About [(E)-2,2,5-trimethylhex-4-enylideneamino]urea

[(E)-2,2,5-trimethylhex-4-enylideneamino]urea (PubChem CID 6881178) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is [(E)-2,2,5-trimethylhex-4-enylideneamino]urea.

Molecular Properties

Compound Name[(E)-2,2,5-trimethylhex-4-enylideneamino]urea
PubChem CID6881178
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name[(E)-2,2,5-trimethylhex-4-enylideneamino]urea
SMILESCC(C)=CCC(C)(C)/C=N/NC(N)=O
InChIInChI=1S/C10H19N3O/c1-8(2)5-6-10(3,4)7-12-13-9(11)14/h5,7H,6H2,1-4H3,(H3,11,13,14)/b12-7+
InChIKeyRYKCGRCUMVCFQM-KPKJPENVSA-N
XLogP2.02
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylideneamino]urea
CID 90645500
3,6-Octadienal, semicarbazone
CID 9561012
Citronellalsemicarbazon
CID 85613960
[(E)-2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylideneamino]urea
CID 172937619
(2,2,5-Trimethylhex-4-enylideneamino)urea
CID 1883559
2,2,5,9-Tetramethyl-3,4,8-decatrienal semicarbazone
CID 6874838
[(E)-6-methylhept-5-enylideneamino]urea
CID 54598905
2-Ethyl-2-hexenal semicarbazone
CID 9602407
alpha,beta-Diethylacrylaldehyde semicarbazone
CID 9602408
[(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea
CID 138525483
cis-3,7-Dimethyl-2,6-octadienal semicarbazone
CID 219820
(6-Methylhept-5-enylideneamino)urea
CID 274468

Frequently Asked Questions

What is the IUPAC name of [(E)-2,2,5-trimethylhex-4-enylideneamino]urea?
The IUPAC name of [(E)-2,2,5-trimethylhex-4-enylideneamino]urea (CID 6881178) is [(E)-2,2,5-trimethylhex-4-enylideneamino]urea.
What is the SMILES notation for [(E)-2,2,5-trimethylhex-4-enylideneamino]urea?
The canonical SMILES for [(E)-2,2,5-trimethylhex-4-enylideneamino]urea is CC(C)=CCC(C)(C)/C=N/NC(N)=O.
What is the InChIKey of [(E)-2,2,5-trimethylhex-4-enylideneamino]urea?
The InChIKey is RYKCGRCUMVCFQM-KPKJPENVSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)5-6-10(3,4)7-12-13-9(11)14/h5,7H,6H2,1-4H3,(H3,11,13,14)/b12-7+.
What are the key properties of [(E)-2,2,5-trimethylhex-4-enylideneamino]urea?
[(E)-2,2,5-trimethylhex-4-enylideneamino]urea has a molecular weight of 197.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,2,5-trimethylhex-4-enylideneamino]urea is sourced from PubChem (CID 6881178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).