[(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea

C11H21N3O — CID 5405593

IUPAC[(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)[C@H]1C[C@]1(C)C(C)(C)C
InChIInChI=1S/C11H21N3O/c1-7(13-14-9(12)15)8-6-11(8,5)10(2,3)4/h8H,6H2,1-5H3,(H3,12,14,15)/b13-7-/t8-,11+/m1/s1
InChIKeyCKQDLWSKFIVAEJ-ZCCXGGGGSA-N
MW211.31 g/mol
LogP2.10
Rot. Bonds2

About [(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea

[(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea (PubChem CID 5405593) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is [(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea
PubChem CID5405593
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name[(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)[C@H]1C[C@]1(C)C(C)(C)C
InChIInChI=1S/C11H21N3O/c1-7(13-14-9(12)15)8-6-11(8,5)10(2,3)4/h8H,6H2,1-5H3,(H3,12,14,15)/b13-7-/t8-,11+/m1/s1
InChIKeyCKQDLWSKFIVAEJ-ZCCXGGGGSA-N
XLogP2.10
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.10
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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Related Compounds

3-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 23424248
[(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea
CID 11897566
[(Z)-1-[(1S,2R,5R)-2-hydroxy-2-methyl-5-nitro-5-propylcyclohexyl]ethylideneamino]urea
CID 93488725
(1-aminoethylideneamino)urea
CID 85436939
[(Z)-1-[(2S)-2-bicyclo[2.2.2]octanyl]ethylideneamino]urea
CID 92526529
(propan-2-ylideneamino)urea;sulfane;urea
CID 174867107
[(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea
CID 122235607
[(Z)-1-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea
CID 6341386
cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate
CID 7159280
[1-(3-ethyl-2,2-dipropylcyclopropyl)ethylideneamino]urea
CID 542078
(2Z)-2-(carbamoylhydrazinylidene)propanoic acid
CID 5484325
(diaminomethylideneamino)urea;hydrochloride
CID 87522234

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea?
The IUPAC name of [(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea (CID 5405593) is [(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea.
What is the SMILES notation for [(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea?
The canonical SMILES for [(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea is C/C(=N/NC(N)=O)[C@H]1C[C@]1(C)C(C)(C)C.
What is the InChIKey of [(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea?
The InChIKey is CKQDLWSKFIVAEJ-ZCCXGGGGSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(13-14-9(12)15)8-6-11(8,5)10(2,3)4/h8H,6H2,1-5H3,(H3,12,14,15)/b13-7-/t8-,11+/m1/s1.
What are the key properties of [(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea?
[(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea has a molecular weight of 211.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea is sourced from PubChem (CID 5405593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).