N'-hydroxy-5-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide

C14H29N3O2 — CID 77056858

IUPACN'-hydroxy-5-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide
SMILESCC1(C)CCC(O)(CNCCCCC(N)=NO)CC1
InChIInChI=1S/C14H29N3O2/c1-13(2)6-8-14(18,9-7-13)11-16-10-4-3-5-12(15)17-19/h16,18-19H,3-11H2,1-2H3,(H2,15,17)
InChIKeyHHIOWRHDHVRIFC-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.82
Rot. Bonds7

About N'-hydroxy-5-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide

N'-hydroxy-5-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide (PubChem CID 77056858) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N'-hydroxy-5-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide
PubChem CID77056858
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN'-hydroxy-5-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide
SMILESCC1(C)CCC(O)(CNCCCCC(N)=NO)CC1
InChIInChI=1S/C14H29N3O2/c1-13(2)6-8-14(18,9-7-13)11-16-10-4-3-5-12(15)17-19/h16,18-19H,3-11H2,1-2H3,(H2,15,17)
InChIKeyHHIOWRHDHVRIFC-UHFFFAOYSA-N
XLogP1.82
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.82
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-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide (CID 77056858) is N'-hydroxy-5-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide is CC1(C)CCC(O)(CNCCCCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-5-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide?
The InChIKey is HHIOWRHDHVRIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-13(2)6-8-14(18,9-7-13)11-16-10-4-3-5-12(15)17-19/h16,18-19H,3-11H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-5-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide?
N'-hydroxy-5-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide has a molecular weight of 271.40 g/mol, XLogP of 1.82, 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-hydroxy-4,4-dimethylcyclohexyl)methylamino]pentanimidamide is sourced from PubChem (CID 77056858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).