N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide

C10H21N3O2 — CID 104866636

IUPACN'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide
SMILESCC1(NCCCC(N)=NO)CCOCC1
InChIInChI=1S/C10H21N3O2/c1-10(4-7-15-8-5-10)12-6-2-3-9(11)13-14/h12,14H,2-8H2,1H3,(H2,11,13)
InChIKeySIIZVYPZZLJJFH-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.67
Rot. Bonds5

About N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide

N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide (PubChem CID 104866636) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide
PubChem CID104866636
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide
SMILESCC1(NCCCC(N)=NO)CCOCC1
InChIInChI=1S/C10H21N3O2/c1-10(4-7-15-8-5-10)12-6-2-3-9(11)13-14/h12,14H,2-8H2,1H3,(H2,11,13)
InChIKeySIIZVYPZZLJJFH-UHFFFAOYSA-N
XLogP0.67
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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-[[(4-methyloxan-4-yl)amino]methyl]propanimidamide
CID 113808066
N'-hydroxy-4-[methyl(oxan-4-yl)amino]butanimidamide
CID 43611239
N'-hydroxy-3-[oxan-4-ylmethyl(propan-2-yl)amino]propanimidamide
CID 55066359
N'-hydroxy-3-[oxan-4-ylmethyl(propan-2-yl)amino]propanimidamide
CID 76207010
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668
3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76942669
3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76942670
N'-hydroxy-2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942671
N'-hydroxy-3-[2-methylpropyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942673
N'-hydroxy-4-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 76951548
N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
CID 76951572
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 76987538

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide (CID 104866636) is N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide is CC1(NCCCC(N)=NO)CCOCC1.
What is the InChIKey of N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide?
The InChIKey is SIIZVYPZZLJJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(4-7-15-8-5-10)12-6-2-3-9(11)13-14/h12,14H,2-8H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide?
N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide is sourced from PubChem (CID 104866636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).