N'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide

C13H27N3O2 — CID 77027390

IUPACN'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide
SMILESCC1CCCC(CO)(NCCCCC(N)=NO)C1
InChIInChI=1S/C13H27N3O2/c1-11-5-4-7-13(9-11,10-17)15-8-3-2-6-12(14)16-18/h11,15,17-18H,2-10H2,1H3,(H2,14,16)
InChIKeyGVPNPQSPTDOWOR-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.43
Rot. Bonds7

About N'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide

N'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide (PubChem CID 77027390) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide
PubChem CID77027390
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide
SMILESCC1CCCC(CO)(NCCCCC(N)=NO)C1
InChIInChI=1S/C13H27N3O2/c1-11-5-4-7-13(9-11,10-17)15-8-3-2-6-12(14)16-18/h11,15,17-18H,2-10H2,1H3,(H2,14,16)
InChIKeyGVPNPQSPTDOWOR-UHFFFAOYSA-N
XLogP1.43
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide (CID 77027390) is N'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide is CC1CCCC(CO)(NCCCCC(N)=NO)C1.
What is the InChIKey of N'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide?
The InChIKey is GVPNPQSPTDOWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11-5-4-7-13(9-11,10-17)15-8-3-2-6-12(14)16-18/h11,15,17-18H,2-10H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide?
N'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.43, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pentanimidamide is sourced from PubChem (CID 77027390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).