1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea

C12H24N4O2 — CID 54991840

IUPAC1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea
SMILESCC(CN(C)C(=O)NC1CCCCC1)/C(N)=N/O
InChIInChI=1S/C12H24N4O2/c1-9(11(13)15-18)8-16(2)12(17)14-10-6-4-3-5-7-10/h9-10,18H,3-8H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyJLEJGEPBLHPXEW-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.34
Rot. Bonds4

About 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea

1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea (PubChem CID 54991840) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea.

Molecular Properties

Compound Name1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea
PubChem CID54991840
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea
SMILESCC(CN(C)C(=O)NC1CCCCC1)/C(N)=N/O
InChIInChI=1S/C12H24N4O2/c1-9(11(13)15-18)8-16(2)12(17)14-10-6-4-3-5-7-10/h9-10,18H,3-8H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyJLEJGEPBLHPXEW-UHFFFAOYSA-N
XLogP1.34
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
CID 104928884
3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea
CID 115585875
2-methyl-3-[methyl-[(4-propan-2-ylcycloheptyl)carbamoyl]amino]propanoic acid
CID 122010343
N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925273
3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea
CID 115621990
2-methyl-3-[methyl(spiro[5.5]undecan-3-ylcarbamoyl)amino]propanoic acid
CID 122011341
3-cyclobutyl-1-methyl-1-(3-methylbutyl)urea
CID 115617736
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 76910906
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107002899
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
3-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043742
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
CID 76910787

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea?
The IUPAC name of 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea (CID 54991840) is 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea.
What is the SMILES notation for 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea?
The canonical SMILES for 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea is CC(CN(C)C(=O)NC1CCCCC1)/C(N)=N/O.
What is the InChIKey of 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea?
The InChIKey is JLEJGEPBLHPXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-9(11(13)15-18)8-16(2)12(17)14-10-6-4-3-5-7-10/h9-10,18H,3-8H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea?
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea has a molecular weight of 256.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea is sourced from PubChem (CID 54991840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).