[(E)-[(2R)-2-hexylcyclopentylidene]amino]urea

C12H23N3O — CID 7412207

IUPAC[(E)-[(2R)-2-hexylcyclopentylidene]amino]urea
SMILESCCCCCC[C@@H]1CCC/C1=N\NC(N)=O
InChIInChI=1S/C12H23N3O/c1-2-3-4-5-7-10-8-6-9-11(10)14-15-12(13)16/h10H,2-9H2,1H3,(H3,13,15,16)/b14-11+/t10-/m1/s1
InChIKeyWWLPQEXGDVXMFN-PIYPRNMZSA-N
MW225.34 g/mol
LogP2.78
Rot. Bonds6

About [(E)-[(2R)-2-hexylcyclopentylidene]amino]urea

[(E)-[(2R)-2-hexylcyclopentylidene]amino]urea (PubChem CID 7412207) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is [(E)-[(2R)-2-hexylcyclopentylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[(2R)-2-hexylcyclopentylidene]amino]urea
PubChem CID7412207
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name[(E)-[(2R)-2-hexylcyclopentylidene]amino]urea
SMILESCCCCCC[C@@H]1CCC/C1=N\NC(N)=O
InChIInChI=1S/C12H23N3O/c1-2-3-4-5-7-10-8-6-9-11(10)14-15-12(13)16/h10H,2-9H2,1H3,(H3,13,15,16)/b14-11+/t10-/m1/s1
InChIKeyWWLPQEXGDVXMFN-PIYPRNMZSA-N
XLogP2.78
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-[(2S)-2-propylcyclohexylidene]amino]urea
CID 98548381
[(E)-(2-propylcyclohexylidene)amino]urea
CID 5385427
7-[(2Z)-2-(hexylhydrazinylidene)cyclopentyl]heptanoic acid
CID 21121995
3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid
CID 121221451
4-[bis(2-chloroethyl)amino]-N-[(Z)-[(2S)-2-heptylcyclopentylidene]amino]benzamide
CID 98505235
4-[bis(2-chloroethyl)amino]-N-[(Z)-[(2R)-2-heptylcyclopentylidene]amino]benzamide
CID 98505230
4-[bis(2-chloroethyl)amino]-N-[(E)-[(2R)-2-heptylcyclopentylidene]amino]benzamide
CID 98505233
N-(2-dodecylcyclohexylidene)hydroxylamine
CID 2729436
[(4-butylcyclohexylidene)amino]urea
CID 165349079
2-decylcyclopentan-1-one
CID 12823821
[(Z)-(2-methylcyclohexylidene)amino]urea
CID 5374162
2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid
CID 11279441

Frequently Asked Questions

What is the IUPAC name of [(E)-[(2R)-2-hexylcyclopentylidene]amino]urea?
The IUPAC name of [(E)-[(2R)-2-hexylcyclopentylidene]amino]urea (CID 7412207) is [(E)-[(2R)-2-hexylcyclopentylidene]amino]urea.
What is the SMILES notation for [(E)-[(2R)-2-hexylcyclopentylidene]amino]urea?
The canonical SMILES for [(E)-[(2R)-2-hexylcyclopentylidene]amino]urea is CCCCCC[C@@H]1CCC/C1=N\NC(N)=O.
What is the InChIKey of [(E)-[(2R)-2-hexylcyclopentylidene]amino]urea?
The InChIKey is WWLPQEXGDVXMFN-PIYPRNMZSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-3-4-5-7-10-8-6-9-11(10)14-15-12(13)16/h10H,2-9H2,1H3,(H3,13,15,16)/b14-11+/t10-/m1/s1.
What are the key properties of [(E)-[(2R)-2-hexylcyclopentylidene]amino]urea?
[(E)-[(2R)-2-hexylcyclopentylidene]amino]urea has a molecular weight of 225.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2R)-2-hexylcyclopentylidene]amino]urea is sourced from PubChem (CID 7412207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).