N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide

C9H21N3O2 — CID 106011945

IUPACN'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide
SMILESCC(C)OCCCCNCC(N)=NO
InChIInChI=1S/C9H21N3O2/c1-8(2)14-6-4-3-5-11-7-9(10)12-13/h8,11,13H,3-7H2,1-2H3,(H2,10,12)
InChIKeyRVLQYEVIBBFLJR-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.53
Rot. Bonds8

About N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide

N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide (PubChem CID 106011945) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide
PubChem CID106011945
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC NameN'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide
SMILESCC(C)OCCCCNCC(N)=NO
InChIInChI=1S/C9H21N3O2/c1-8(2)14-6-4-3-5-11-7-9(10)12-13/h8,11,13H,3-7H2,1-2H3,(H2,10,12)
InChIKeyRVLQYEVIBBFLJR-UHFFFAOYSA-N
XLogP0.53
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.53
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

N'-hydroxy-4-propan-2-yloxybutanimidamide
CID 24692714
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954
ethyl 2-(4-propan-2-yloxybutylamino)acetate
CID 107095428
3-chloro-N'-hydroxy-4-[(4-propan-2-yloxybutylamino)methyl]benzenecarboximidamide
CID 106011956
4-(4-propan-2-yloxybutylamino)butan-2-ol
CID 106009786
N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide
CID 79594323
N'-hydroxy-2-(propylamino)ethanimidamide
CID 60711995
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate
CID 83204997
3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine
CID 106547392
3-(3-propan-2-yloxypropylamino)propanamide
CID 2502548
1-methoxy-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010384

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide (CID 106011945) is N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide is CC(C)OCCCCNCC(N)=NO.
What is the InChIKey of N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide?
The InChIKey is RVLQYEVIBBFLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-8(2)14-6-4-3-5-11-7-9(10)12-13/h8,11,13H,3-7H2,1-2H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide?
N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide is sourced from PubChem (CID 106011945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).