5-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxypentanimidamide

C12H27N3O2 — CID 54999674

IUPAC5-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(C)N(CCCC/C(N)=N/O)CCOC
InChIInChI=1S/C12H27N3O2/c1-4-11(2)15(9-10-17-3)8-6-5-7-12(13)14-16/h11,16H,4-10H2,1-3H3,(H2,13,14)
InChIKeySASBWGMDDMJJFS-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.65
Rot. Bonds10

About 5-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxypentanimidamide

5-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxypentanimidamide (PubChem CID 54999674) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
PubChem CID54999674
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name5-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(C)N(CCCC/C(N)=N/O)CCOC
InChIInChI=1S/C12H27N3O2/c1-4-11(2)15(9-10-17-3)8-6-5-7-12(13)14-16/h11,16H,4-10H2,1-3H3,(H2,13,14)
InChIKeySASBWGMDDMJJFS-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of 5-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxypentanimidamide (CID 54999674) is 5-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxypentanimidamide is CCC(C)N(CCCC/C(N)=N/O)CCOC.
What is the InChIKey of 5-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is SASBWGMDDMJJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-4-11(2)15(9-10-17-3)8-6-5-7-12(13)14-16/h11,16H,4-10H2,1-3H3,(H2,13,14).
What are the key properties of 5-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxypentanimidamide?
5-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 245.37 g/mol, XLogP of 1.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 54999674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).