N'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide

C12H27N3O2 — CID 77030871

IUPACN'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide
SMILESCC(C)CCOCCNCCCCC(N)=NO
InChIInChI=1S/C12H27N3O2/c1-11(2)6-9-17-10-8-14-7-4-3-5-12(13)15-16/h11,14,16H,3-10H2,1-2H3,(H2,13,15)
InChIKeyRFIVQVMQIPESBP-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.56
Rot. Bonds11

About N'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide

N'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide (PubChem CID 77030871) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide
PubChem CID77030871
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide
SMILESCC(C)CCOCCNCCCCC(N)=NO
InChIInChI=1S/C12H27N3O2/c1-11(2)6-9-17-10-8-14-7-4-3-5-12(13)15-16/h11,14,16H,3-10H2,1-2H3,(H2,13,15)
InChIKeyRFIVQVMQIPESBP-UHFFFAOYSA-N
XLogP1.56
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide (CID 77030871) is N'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide is CC(C)CCOCCNCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide?
The InChIKey is RFIVQVMQIPESBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-11(2)6-9-17-10-8-14-7-4-3-5-12(13)15-16/h11,14,16H,3-10H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide?
N'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide has a molecular weight of 245.37 g/mol, XLogP of 1.56, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide is sourced from PubChem (CID 77030871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).