4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide

C11H25N3O2 — CID 106287042

IUPAC4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide
SMILESCCC(CC)C(O)CNCCCC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-3-9(4-2)10(15)8-13-7-5-6-11(12)14-16/h9-10,13,15-16H,3-8H2,1-2H3,(H2,12,14)
InChIKeyRKVDQZMEYAZLPH-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.90
Rot. Bonds9

About 4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide

4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide (PubChem CID 106287042) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide
PubChem CID106287042
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide
SMILESCCC(CC)C(O)CNCCCC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-3-9(4-2)10(15)8-13-7-5-6-11(12)14-16/h9-10,13,15-16H,3-8H2,1-2H3,(H2,12,14)
InChIKeyRKVDQZMEYAZLPH-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
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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Related Compounds

N'-hydroxy-5-(2-methylbutylamino)pentanimidamide
CID 77027184
4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide
CID 77027423
4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide
CID 104864232
N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide
CID 104867252
N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
CID 77030580
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
N'-hydroxy-3-(2-hydroxypentylamino)propanimidamide
CID 104867256
4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide
CID 77056368
3-ethyl-1-(ethylamino)pentan-2-ol
CID 62774490
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide
CID 77026159

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide (CID 106287042) is 4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide is CCC(CC)C(O)CNCCCC(N)=NO.
What is the InChIKey of 4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is RKVDQZMEYAZLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-3-9(4-2)10(15)8-13-7-5-6-11(12)14-16/h9-10,13,15-16H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of 4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide?
4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 231.34 g/mol, XLogP of 0.90, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 106287042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).