2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide

C13H25N3O2 — CID 107420162

IUPAC2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide
SMILESCCC(C)(C(=O)NCC1CCCC1C)C(N)=NO
InChIInChI=1S/C13H25N3O2/c1-4-13(3,11(14)16-18)12(17)15-8-10-7-5-6-9(10)2/h9-10,18H,4-8H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyQMFKXAGQFHAZOI-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.70
Rot. Bonds5

About 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide

2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide (PubChem CID 107420162) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide
PubChem CID107420162
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide
SMILESCCC(C)(C(=O)NCC1CCCC1C)C(N)=NO
InChIInChI=1S/C13H25N3O2/c1-4-13(3,11(14)16-18)12(17)15-8-10-7-5-6-9(10)2/h9-10,18H,4-8H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyQMFKXAGQFHAZOI-UHFFFAOYSA-N
XLogP1.70
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.70
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-(N'-hydroxycarbamimidoyl)-N-[(2-methylcyclopentyl)methyl]-2-propylpentanamide
CID 107420169
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(oxan-3-ylmethyl)butanamide
CID 113270817
3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417691
2-methoxy-2-methyl-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107420812
3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide
CID 63665922
(2-methylcyclopentyl)methylurea
CID 107417745
2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 113270747
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 114293087
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(3-methyloxan-4-yl)butanamide
CID 114241336
1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
CID 107417748
3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide
CID 107418581
N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 114293033

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide (CID 107420162) is 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide is CCC(C)(C(=O)NCC1CCCC1C)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide?
The InChIKey is QMFKXAGQFHAZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-13(3,11(14)16-18)12(17)15-8-10-7-5-6-9(10)2/h9-10,18H,4-8H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide?
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide has a molecular weight of 255.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]butanamide is sourced from PubChem (CID 107420162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).