N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide

C12H23N3O2 — CID 61132988

IUPACN-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide
SMILESCCCC(=O)NC1(/C(N)=N/O)CCC(C)CC1
InChIInChI=1S/C12H23N3O2/c1-3-4-10(16)14-12(11(13)15-17)7-5-9(2)6-8-12/h9,17H,3-8H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyFNWQDICHXBXTII-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.60
Rot. Bonds4

About N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide

N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide (PubChem CID 61132988) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide.

Molecular Properties

Compound NameN-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide
PubChem CID61132988
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide
SMILESCCCC(=O)NC1(/C(N)=N/O)CCC(C)CC1
InChIInChI=1S/C12H23N3O2/c1-3-4-10(16)14-12(11(13)15-17)7-5-9(2)6-8-12/h9,17H,3-8H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyFNWQDICHXBXTII-UHFFFAOYSA-N
XLogP1.60
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.60
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

1-(butanoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43163089
tert-butyl N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]carbamate
CID 76898062
N-[1-(aminomethyl)-4-methylcyclohexyl]butanamide
CID 63766676
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107182737
N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide
CID 104985759
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide
CID 76946958
3-ethoxy-N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]propanamide
CID 76947053
N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide
CID 103940438
ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 104929320
2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide
CID 76909881
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 77113501
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-5-iodothiophene-3-carboxamide
CID 79684560

Frequently Asked Questions

What is the IUPAC name of N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide?
The IUPAC name of N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide (CID 61132988) is N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide.
What is the SMILES notation for N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide?
The canonical SMILES for N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide is CCCC(=O)NC1(/C(N)=N/O)CCC(C)CC1.
What is the InChIKey of N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide?
The InChIKey is FNWQDICHXBXTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-4-10(16)14-12(11(13)15-17)7-5-9(2)6-8-12/h9,17H,3-8H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide?
N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide has a molecular weight of 241.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide is sourced from PubChem (CID 61132988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).