N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide

C11H23N3O2 — CID 77057917

IUPACN'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide
SMILESCC(C(N)=NO)N(C)CCCC1CCCO1
InChIInChI=1S/C11H23N3O2/c1-9(11(12)13-15)14(2)7-3-5-10-6-4-8-16-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyDTSDDMZXHNFFET-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.01
Rot. Bonds6

About N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide

N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide (PubChem CID 77057917) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide
PubChem CID77057917
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide
SMILESCC(C(N)=NO)N(C)CCCC1CCCO1
InChIInChI=1S/C11H23N3O2/c1-9(11(12)13-15)14(2)7-3-5-10-6-4-8-16-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyDTSDDMZXHNFFET-UHFFFAOYSA-N
XLogP1.01
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide
CID 77057994
N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 76915828
N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propylamino]ethanimidamide
CID 77057915
3-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanethioamide
CID 65161267
N-(2-chloroethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65165670
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-3-(oxolan-2-yl)propanamide
CID 77057849
N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942680
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 65163903
4-[3-(oxolan-2-yl)propyl-propan-2-ylamino]butanoic acid
CID 65162413
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide
CID 77057681
3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide
CID 77057992
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide (CID 77057917) is N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide is CC(C(N)=NO)N(C)CCCC1CCCO1.
What is the InChIKey of N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide?
The InChIKey is DTSDDMZXHNFFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(11(12)13-15)14(2)7-3-5-10-6-4-8-16-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide?
N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide has a molecular weight of 229.32 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide is sourced from PubChem (CID 77057917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).