[(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea

C15H21N3O — CID 92526860

IUPAC[(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea
SMILESC[C@@]1(Cc2ccccc2)CCCC/C1=N/NC(N)=O
InChIInChI=1S/C15H21N3O/c1-15(11-12-7-3-2-4-8-12)10-6-5-9-13(15)17-18-14(16)19/h2-4,7-8H,5-6,9-11H2,1H3,(H3,16,18,19)/b17-13-/t15-/m0/s1
InChIKeyDVBLNGOZMQFTGF-SUCHYCSPSA-N
MW259.35 g/mol
LogP2.83
Rot. Bonds3

About [(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea

[(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea (PubChem CID 92526860) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea
PubChem CID92526860
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea
SMILESC[C@@]1(Cc2ccccc2)CCCC/C1=N/NC(N)=O
InChIInChI=1S/C15H21N3O/c1-15(11-12-7-3-2-4-8-12)10-6-5-9-13(15)17-18-14(16)19/h2-4,7-8H,5-6,9-11H2,1H3,(H3,16,18,19)/b17-13-/t15-/m0/s1
InChIKeyDVBLNGOZMQFTGF-SUCHYCSPSA-N
XLogP2.83
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.83
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

N-(2-benzyl-2-methylcyclohexylidene)hydroxylamine
CID 71344449
(1-benzylcyclopentyl)urea
CID 86790395
[(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea
CID 121000903
1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 119345267
N-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 10343547
2-[(1S,2E,5R)-2-(carbamoylhydrazinylidene)-5-phenylmethoxycyclohexyl]acetic acid
CID 98542372
methyl (1S)-1-benzyl-2-oxocyclohexane-1-carboxylate
CID 13267388
benzyl 1-methyl-2-oxocyclohexane-1-carboxylate
CID 67285279
benzyl (1R)-1-acetyl-2-methylidenecycloheptane-1-carboxylate
CID 134848518
[(Z)-[(5R)-3-(4-bromophenyl)-1-hydroxy-2,2-dimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]amino]urea
CID 26779388
ethyl 1-benzyl-2-oxocyclohexane-1-carboxylate
CID 10445323
1-amino-N-phenylmethoxycyclopentane-1-carboxamide
CID 21491908

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea?
The IUPAC name of [(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea (CID 92526860) is [(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea.
What is the SMILES notation for [(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea?
The canonical SMILES for [(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea is C[C@@]1(Cc2ccccc2)CCCC/C1=N/NC(N)=O.
What is the InChIKey of [(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea?
The InChIKey is DVBLNGOZMQFTGF-SUCHYCSPSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(11-12-7-3-2-4-8-12)10-6-5-9-13(15)17-18-14(16)19/h2-4,7-8H,5-6,9-11H2,1H3,(H3,16,18,19)/b17-13-/t15-/m0/s1.
What are the key properties of [(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea?
[(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea has a molecular weight of 259.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea is sourced from PubChem (CID 92526860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).