2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide

C12H23N3O2 — CID 76924883

IUPAC2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide
SMILESCCC(C(=O)NC1CCCCC1C)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-3-9(11(13)15-17)12(16)14-10-7-5-4-6-8(10)2/h8-10,17H,3-7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyCKCHVOVCKWMWPO-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.45
Rot. Bonds4

About 2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide

2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide (PubChem CID 76924883) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide
PubChem CID76924883
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide
SMILESCCC(C(=O)NC1CCCCC1C)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-3-9(11(13)15-17)12(16)14-10-7-5-4-6-8(10)2/h8-10,17H,3-7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyCKCHVOVCKWMWPO-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
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

2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-hydroxycyclohexyl)butanamide
CID 55064087
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
N-(2,2-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 79872938
N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77037476
2-amino-N-(2-methylcyclopentyl)butanamide
CID 63281650
N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 77050596
N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926462
2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide
CID 76926843
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926414

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide (CID 76924883) is 2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide is CCC(C(=O)NC1CCCCC1C)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide?
The InChIKey is CKCHVOVCKWMWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-9(11(13)15-17)12(16)14-10-7-5-4-6-8(10)2/h8-10,17H,3-7H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide?
2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide has a molecular weight of 241.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide is sourced from PubChem (CID 76924883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).