N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide

C13H27N3O — CID 94230169

IUPACN'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide
SMILESCC1CCC(N(C)CCCC/C(N)=N/O)CC1
InChIInChI=1S/C13H27N3O/c1-11-6-8-12(9-7-11)16(2)10-4-3-5-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15)
InChIKeyMDSVMBFRTMRIPP-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.41
Rot. Bonds6

About N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide

N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide (PubChem CID 94230169) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide
PubChem CID94230169
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide
SMILESCC1CCC(N(C)CCCC/C(N)=N/O)CC1
InChIInChI=1S/C13H27N3O/c1-11-6-8-12(9-7-11)16(2)10-4-3-5-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15)
InChIKeyMDSVMBFRTMRIPP-UHFFFAOYSA-N
XLogP2.41
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(4-methylcyclohexyl)amino]methyl]propanimidamide
CID 103369311
2-[[cyclohexylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369320
3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide
CID 103369321
2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369326
3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(2-methylcyclohexyl)amino]methyl]propanimidamide
CID 103369352
3,3,3-trifluoro-N'-hydroxy-2-[[(4-methylcyclohexyl)amino]methyl]propanimidamide
CID 103369543
2-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369990
3-[(3,3-difluorocyclohexyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 114224119
3-[(3,3-difluorocyclohexyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 114224121
2-[(3,3-difluorocyclohexyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 114224124
2-[(3,3-difluorocyclohexyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide
CID 114224127
4-(1-cyclopentylpiperidin-4-yl)-N'-hydroxybutanimidamide
CID 59657740

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide (CID 94230169) is N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide is CC1CCC(N(C)CCCC/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide?
The InChIKey is MDSVMBFRTMRIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11-6-8-12(9-7-11)16(2)10-4-3-5-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide?
N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide has a molecular weight of 241.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide is sourced from PubChem (CID 94230169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).