N'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide

C10H21N3O2 — CID 77027973

IUPACN'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide
SMILESCC(NCCCC(N)=NO)C1CCCO1
InChIInChI=1S/C10H21N3O2/c1-8(9-4-3-7-15-9)12-6-2-5-10(11)13-14/h8-9,12,14H,2-7H2,1H3,(H2,11,13)
InChIKeySZJRICAUKAZDMP-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.67
Rot. Bonds6

About N'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide

N'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide (PubChem CID 77027973) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide
PubChem CID77027973
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide
SMILESCC(NCCCC(N)=NO)C1CCCO1
InChIInChI=1S/C10H21N3O2/c1-8(9-4-3-7-15-9)12-6-2-5-10(11)13-14/h8-9,12,14H,2-7H2,1H3,(H2,11,13)
InChIKeySZJRICAUKAZDMP-UHFFFAOYSA-N
XLogP0.67
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.67
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

3,3,3-trifluoro-N'-hydroxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanimidamide
CID 103369636
N'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 43186226
(3Z)-3-amino-3-hydroxyimino-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 43534012
N'-hydroxy-3-(oxolan-2-ylmethylamino)propanimidamide
CID 54847520
5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide
CID 54965754
N'-hydroxy-4-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 61432526
N'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]pentanimidamide
CID 61432577
4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide
CID 61434758
3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide
CID 61434857
3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide
CID 61434858
N'-hydroxy-5-[methyl(oxolan-2-ylmethyl)amino]pentanimidamide
CID 61524824
3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide
CID 64331951

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide (CID 77027973) is N'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide is CC(NCCCC(N)=NO)C1CCCO1.
What is the InChIKey of N'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide?
The InChIKey is SZJRICAUKAZDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(9-4-3-7-15-9)12-6-2-5-10(11)13-14/h8-9,12,14H,2-7H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide?
N'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide is sourced from PubChem (CID 77027973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).