5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide

C11H25N3O2 — CID 109374620

IUPAC5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
SMILESCCCCN(CCO)CCCC/C(N)=N/O
InChIInChI=1S/C11H25N3O2/c1-2-3-7-14(9-10-15)8-5-4-6-11(12)13-16/h15-16H,2-10H2,1H3,(H2,12,13)
InChIKeyHIMMCFCZOXNYCJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.00
Rot. Bonds10

About 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide

5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide (PubChem CID 109374620) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
PubChem CID109374620
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
SMILESCCCCN(CCO)CCCC/C(N)=N/O
InChIInChI=1S/C11H25N3O2/c1-2-3-7-14(9-10-15)8-5-4-6-11(12)13-16/h15-16H,2-10H2,1H3,(H2,12,13)
InChIKeyHIMMCFCZOXNYCJ-UHFFFAOYSA-N
XLogP1.00
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.00
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

N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide
CID 109374606
N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480165
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710799
5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
CID 94230162
5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide
CID 107869923
2-(dibutylamino)-N'-hydroxyethanimidamide
CID 74859795
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide (CID 109374620) is 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide is CCCCN(CCO)CCCC/C(N)=N/O.
What is the InChIKey of 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is HIMMCFCZOXNYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-2-3-7-14(9-10-15)8-5-4-6-11(12)13-16/h15-16H,2-10H2,1H3,(H2,12,13).
What are the key properties of 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.00, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 109374620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).