N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide

C11H25N3O2 — CID 77028028

IUPACN'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide
SMILESCCC(CC)(CO)NCCCCC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-3-11(4-2,9-15)13-8-6-5-7-10(12)14-16/h13,15-16H,3-9H2,1-2H3,(H2,12,14)
InChIKeyXQBLTABEVQRVOZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.04
Rot. Bonds9

About N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide

N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide (PubChem CID 77028028) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide
PubChem CID77028028
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC NameN'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide
SMILESCCC(CC)(CO)NCCCCC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-3-11(4-2,9-15)13-8-6-5-7-10(12)14-16/h13,15-16H,3-9H2,1-2H3,(H2,12,14)
InChIKeyXQBLTABEVQRVOZ-UHFFFAOYSA-N
XLogP1.04
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.04
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-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide (CID 77028028) is N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide is CCC(CC)(CO)NCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide?
The InChIKey is XQBLTABEVQRVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-3-11(4-2,9-15)13-8-6-5-7-10(12)14-16/h13,15-16H,3-9H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide?
N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.04, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide is sourced from PubChem (CID 77028028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).