N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide

C12H25N3O — CID 104937631

IUPACN'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide
SMILESCC1CCC(NCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C12H25N3O/c1-9-4-5-10(8-9)14-7-6-12(2,3)11(13)15-16/h9-10,14,16H,4-8H2,1-3H3,(H2,13,15)
InChIKeyAHPCQVDZIIBXSK-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.93
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide

N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide (PubChem CID 104937631) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide
PubChem CID104937631
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide
SMILESCC1CCC(NCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C12H25N3O/c1-9-4-5-10(8-9)14-7-6-12(2,3)11(13)15-16/h9-10,14,16H,4-8H2,1-3H3,(H2,13,15)
InChIKeyAHPCQVDZIIBXSK-UHFFFAOYSA-N
XLogP1.93
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.93
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

5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063648
4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062138
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide
CID 114130997
N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide
CID 77063607
N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide
CID 77073748
4-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062762
N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide
CID 77063815
3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine
CID 114547293
N'-hydroxy-2,2-dimethyl-6-[2-(4-methylcyclohexyl)ethylamino]hexanimidamide
CID 106711176
N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide
CID 106711687
5-(cyclohex-3-en-1-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77075432
4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062338

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide (CID 104937631) is N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide is CC1CCC(NCCC(C)(C)C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide?
The InChIKey is AHPCQVDZIIBXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9-4-5-10(8-9)14-7-6-12(2,3)11(13)15-16/h9-10,14,16H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide?
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide is sourced from PubChem (CID 104937631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).