5-(2-butoxyethylamino)-N'-hydroxypentanimidamide

C11H25N3O2 — CID 77030771

IUPAC5-(2-butoxyethylamino)-N'-hydroxypentanimidamide
SMILESCCCCOCCNCCCCC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-2-3-9-16-10-8-13-7-5-4-6-11(12)14-15/h13,15H,2-10H2,1H3,(H2,12,14)
InChIKeyZKPFKUIPLCVPDE-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.31
Rot. Bonds11

About 5-(2-butoxyethylamino)-N'-hydroxypentanimidamide

5-(2-butoxyethylamino)-N'-hydroxypentanimidamide (PubChem CID 77030771) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-(2-butoxyethylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(2-butoxyethylamino)-N'-hydroxypentanimidamide
PubChem CID77030771
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name5-(2-butoxyethylamino)-N'-hydroxypentanimidamide
SMILESCCCCOCCNCCCCC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-2-3-9-16-10-8-13-7-5-4-6-11(12)14-15/h13,15H,2-10H2,1H3,(H2,12,14)
InChIKeyZKPFKUIPLCVPDE-UHFFFAOYSA-N
XLogP1.31
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.31
H-Bond Donors ≤ 53
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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Related Compounds

5-(2-ethoxyethylamino)-N'-hydroxypentanimidamide
CID 77027141
5-butoxy-N'-hydroxypentanimidamide
CID 109374755
5-(3-ethoxypropylamino)-N'-hydroxypentanimidamide
CID 77025981
2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide
CID 106237637
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
5-(2-propoxyethylamino)pentanamide
CID 106237519
N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide
CID 77027857
3-heptoxy-N'-hydroxypropanimidamide
CID 43128360
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751

Frequently Asked Questions

What is the IUPAC name of 5-(2-butoxyethylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(2-butoxyethylamino)-N'-hydroxypentanimidamide (CID 77030771) is 5-(2-butoxyethylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(2-butoxyethylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(2-butoxyethylamino)-N'-hydroxypentanimidamide is CCCCOCCNCCCCC(N)=NO.
What is the InChIKey of 5-(2-butoxyethylamino)-N'-hydroxypentanimidamide?
The InChIKey is ZKPFKUIPLCVPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-2-3-9-16-10-8-13-7-5-4-6-11(12)14-15/h13,15H,2-10H2,1H3,(H2,12,14).
What are the key properties of 5-(2-butoxyethylamino)-N'-hydroxypentanimidamide?
5-(2-butoxyethylamino)-N'-hydroxypentanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.31, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butoxyethylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77030771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).