N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide

C13H25N3O2 — CID 77037476

IUPACN-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)NC1CCC(C)(C)CC1)C(N)=NO
InChIInChI=1S/C13H25N3O2/c1-4-10(11(14)16-18)12(17)15-9-5-7-13(2,3)8-6-9/h9-10,18H,4-8H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeySBNCSSIKAIKTTE-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.84
Rot. Bonds4

About N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide

N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 77037476) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID77037476
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)NC1CCC(C)(C)CC1)C(N)=NO
InChIInChI=1S/C13H25N3O2/c1-4-10(11(14)16-18)12(17)15-9-5-7-13(2,3)8-6-9/h9-10,18H,4-8H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeySBNCSSIKAIKTTE-UHFFFAOYSA-N
XLogP1.84
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.84
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-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925874
2-(N'-hydroxycarbamimidoyl)-N-(4-methylcyclohexyl)butanamide
CID 76924596
2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide
CID 76925140
2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide
CID 76926843
N-(2,2-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 79872938
N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926462
2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-hydroxycyclohexyl)butanamide
CID 55064087
2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide
CID 76924883
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
CID 107856119
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926414
2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79350697

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide (CID 77037476) is N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide is CCC(C(=O)NC1CCC(C)(C)CC1)C(N)=NO.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is SBNCSSIKAIKTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-10(11(14)16-18)12(17)15-9-5-7-13(2,3)8-6-9/h9-10,18H,4-8H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide?
N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 255.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 77037476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).