2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide

C11H25N3O2 — CID 63585073

IUPAC2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide
SMILESCCCCN(CCO)C(C(=O)NN)C(C)C
InChIInChI=1S/C11H25N3O2/c1-4-5-6-14(7-8-15)10(9(2)3)11(16)13-12/h9-10,15H,4-8,12H2,1-3H3,(H,13,16)
InChIKeyKJIKTJZNQAXGEF-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.10
Rot. Bonds8

About 2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide

2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide (PubChem CID 63585073) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide
PubChem CID63585073
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide
SMILESCCCCN(CCO)C(C(=O)NN)C(C)C
InChIInChI=1S/C11H25N3O2/c1-4-5-6-14(7-8-15)10(9(2)3)11(16)13-12/h9-10,15H,4-8,12H2,1-3H3,(H,13,16)
InChIKeyKJIKTJZNQAXGEF-UHFFFAOYSA-N
XLogP0.10
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]pentanehydrazide
CID 83047801
2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide
CID 63572653
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetohydrazide
CID 55213465
2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016391
3-[butyl(ethyl)amino]-2-methylbutanehydrazide
CID 79409321
2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid
CID 82043173
2-[bis(2-hydroxyethyl)amino]butanehydrazide
CID 63573033
2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid
CID 61425240
N-butan-2-yl-2-[butyl(2-hydroxyethyl)amino]propanamide
CID 62016390
2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide
CID 55212881
2-[ethyl(2-methylpropyl)amino]-3-methylbutanehydrazide
CID 63571387
3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide
CID 63585174

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide (CID 63585073) is 2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide is CCCCN(CCO)C(C(=O)NN)C(C)C.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide?
The InChIKey is KJIKTJZNQAXGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-4-5-6-14(7-8-15)10(9(2)3)11(16)13-12/h9-10,15H,4-8,12H2,1-3H3,(H,13,16).
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide?
2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide has a molecular weight of 231.34 g/mol, XLogP of 0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide is sourced from PubChem (CID 63585073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).