3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide

C12H27N3O2 — CID 79408378

IUPAC3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide
SMILESCCC(C)N(CCOC)C(C)C(C)C(=O)NN
InChIInChI=1S/C12H27N3O2/c1-6-9(2)15(7-8-17-5)11(4)10(3)12(16)14-13/h9-11H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyWQNIXRAZTGYADX-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.75
Rot. Bonds8

About 3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide

3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide (PubChem CID 79408378) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide
PubChem CID79408378
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide
SMILESCCC(C)N(CCOC)C(C)C(C)C(=O)NN
InChIInChI=1S/C12H27N3O2/c1-6-9(2)15(7-8-17-5)11(4)10(3)12(16)14-13/h9-11H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyWQNIXRAZTGYADX-UHFFFAOYSA-N
XLogP0.75
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
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-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide
CID 63571581
tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate
CID 64688775
ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate
CID 83041497
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide
CID 55213672
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide
CID 63583142
2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide
CID 63577148
2-[ethyl(2-methoxyethyl)amino]-3-methoxypropanehydrazide
CID 103229639
4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid
CID 64693788
2-(2-methoxyethoxy)butanehydrazide
CID 63575929
4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
CID 66428258
3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81019817
4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64710876

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide?
The IUPAC name of 3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide (CID 79408378) is 3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide.
What is the SMILES notation for 3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide?
The canonical SMILES for 3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide is CCC(C)N(CCOC)C(C)C(C)C(=O)NN.
What is the InChIKey of 3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide?
The InChIKey is WQNIXRAZTGYADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-6-9(2)15(7-8-17-5)11(4)10(3)12(16)14-13/h9-11H,6-8,13H2,1-5H3,(H,14,16).
What are the key properties of 3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide?
3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide has a molecular weight of 245.37 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide is sourced from PubChem (CID 79408378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).