N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propan-2-ylamino]ethanimidamide

C12H25N3O2 — CID 65161551

IUPACN'-hydroxy-2-[3-(oxolan-2-yl)propyl-propan-2-ylamino]ethanimidamide
SMILESCC(C)N(CCCC1CCCO1)C/C(N)=N/O
InChIInChI=1S/C12H25N3O2/c1-10(2)15(9-12(13)14-16)7-3-5-11-6-4-8-17-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyQSJZOFLKNKLLFE-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.40
Rot. Bonds7

About N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propan-2-ylamino]ethanimidamide

N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propan-2-ylamino]ethanimidamide (PubChem CID 65161551) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propan-2-ylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[3-(oxolan-2-yl)propyl-propan-2-ylamino]ethanimidamide
PubChem CID65161551
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-2-[3-(oxolan-2-yl)propyl-propan-2-ylamino]ethanimidamide
SMILESCC(C)N(CCCC1CCCO1)C/C(N)=N/O
InChIInChI=1S/C12H25N3O2/c1-10(2)15(9-12(13)14-16)7-3-5-11-6-4-8-17-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyQSJZOFLKNKLLFE-UHFFFAOYSA-N
XLogP1.40
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propan-2-ylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propan-2-ylamino]ethanimidamide (CID 65161551) is N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propan-2-ylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propan-2-ylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propan-2-ylamino]ethanimidamide is CC(C)N(CCCC1CCCO1)C/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propan-2-ylamino]ethanimidamide?
The InChIKey is QSJZOFLKNKLLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(2)15(9-12(13)14-16)7-3-5-11-6-4-8-17-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propan-2-ylamino]ethanimidamide?
N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propan-2-ylamino]ethanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propan-2-ylamino]ethanimidamide is sourced from PubChem (CID 65161551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).