N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide

C11H23N3O2 — CID 77013639

IUPACN'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide
SMILESCC(C)N(CCC(N)=NO)C1CCOCC1
InChIInChI=1S/C11H23N3O2/c1-9(2)14(6-3-11(12)13-15)10-4-7-16-8-5-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyBXPZLNVZFFKEAV-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.01
Rot. Bonds5

About N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide

N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide (PubChem CID 77013639) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide
PubChem CID77013639
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide
SMILESCC(C)N(CCC(N)=NO)C1CCOCC1
InChIInChI=1S/C11H23N3O2/c1-9(2)14(6-3-11(12)13-15)10-4-7-16-8-5-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyBXPZLNVZFFKEAV-UHFFFAOYSA-N
XLogP1.01
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[cyclopropyl(oxan-4-yl)amino]-N'-hydroxypropanimidamide
CID 77013640
N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide
CID 77038029
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide
CID 55132762
N'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide
CID 77013636
N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 63558740
N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide
CID 83147861
3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54997208
N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
CID 76951572
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-propan-2-yloxan-4-amine
CID 97159967
3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 79902214
3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76910514

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide (CID 77013639) is N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide is CC(C)N(CCC(N)=NO)C1CCOCC1.
What is the InChIKey of N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide?
The InChIKey is BXPZLNVZFFKEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(2)14(6-3-11(12)13-15)10-4-7-16-8-5-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide?
N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide has a molecular weight of 229.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide is sourced from PubChem (CID 77013639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).