N'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide

C12H27N3O2 — CID 76927622

IUPACN'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide
SMILESCCCN(CCOCCC(C)C)CC(N)=NO
InChIInChI=1S/C12H27N3O2/c1-4-6-15(10-12(13)14-16)7-9-17-8-5-11(2)3/h11,16H,4-10H2,1-3H3,(H2,13,14)
InChIKeyWKRNIBKZVHJYST-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.51
Rot. Bonds10

About N'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide

N'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide (PubChem CID 76927622) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide
PubChem CID76927622
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide
SMILESCCCN(CCOCCC(C)C)CC(N)=NO
InChIInChI=1S/C12H27N3O2/c1-4-6-15(10-12(13)14-16)7-9-17-8-5-11(2)3/h11,16H,4-10H2,1-3H3,(H2,13,14)
InChIKeyWKRNIBKZVHJYST-UHFFFAOYSA-N
XLogP1.51
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
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

2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927576
N'-hydroxy-2-[2-propan-2-yloxyethyl(propyl)amino]ethanimidamide
CID 76927761
N'-hydroxy-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanimidamide
CID 76927657
N'-hydroxy-2-[2-methoxyethyl(propyl)amino]ethanimidamide
CID 76927566
3-methyl-N-[2-(3-methylbutoxy)ethyl]-N-propylbutan-1-amine;2-methylpentane
CID 178112735
2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
CID 60661910
N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propylamino]ethanimidamide
CID 77073443
2-(dibutylamino)-N'-hydroxyethanimidamide
CID 74859795
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxyethanimidamide
CID 76912572
2-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxyethanimidamide
CID 103409988
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide
CID 104563118
N-(2-chloroethyl)-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
CID 63389719

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide (CID 76927622) is N'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide is CCCN(CCOCCC(C)C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide?
The InChIKey is WKRNIBKZVHJYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-4-6-15(10-12(13)14-16)7-9-17-8-5-11(2)3/h11,16H,4-10H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide?
N'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide has a molecular weight of 245.37 g/mol, XLogP of 1.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide is sourced from PubChem (CID 76927622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).