4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide

C12H27N3O3 — CID 63584376

IUPAC4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide
SMILESCOCCCN(CCOC)C(C)CCC(=O)NN
InChIInChI=1S/C12H27N3O3/c1-11(5-6-12(16)14-13)15(8-10-18-3)7-4-9-17-2/h11H,4-10,13H2,1-3H3,(H,14,16)
InChIKeyDFIMULODKIWCFL-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.13
Rot. Bonds11

About 4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide

4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide (PubChem CID 63584376) has the molecular formula C12H27N3O3 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide.

Molecular Properties

Compound Name4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide
PubChem CID63584376
Molecular FormulaC12H27N3O3
Molecular Weight261.37 g/mol
Exact Mass261.21
IUPAC Name4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide
SMILESCOCCCN(CCOC)C(C)CCC(=O)NN
InChIInChI=1S/C12H27N3O3/c1-11(5-6-12(16)14-13)15(8-10-18-3)7-4-9-17-2/h11H,4-10,13H2,1-3H3,(H,14,16)
InChIKeyDFIMULODKIWCFL-UHFFFAOYSA-N
XLogP0.13
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-methoxyethyl(propan-2-yl)amino]hexanehydrazide
CID 82965230
3-[2-methoxyethyl(3-methoxypropyl)amino]propanehydrazide
CID 63582905
4-[ethyl(2-methoxyethyl)amino]butanehydrazide
CID 63584044
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide
CID 55213672
methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate
CID 64710865
5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide
CID 63584308
6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one
CID 106801251
3-[butan-2-yl(butyl)amino]propanehydrazide
CID 63577909
4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide
CID 66428252
ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate
CID 64660449
5-[pentyl(propan-2-yl)amino]pentanehydrazide
CID 55214628
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide?
The IUPAC name of 4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide (CID 63584376) is 4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide.
What is the SMILES notation for 4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide?
The canonical SMILES for 4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide is COCCCN(CCOC)C(C)CCC(=O)NN.
What is the InChIKey of 4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide?
The InChIKey is DFIMULODKIWCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3/c1-11(5-6-12(16)14-13)15(8-10-18-3)7-4-9-17-2/h11H,4-10,13H2,1-3H3,(H,14,16).
What are the key properties of 4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide?
4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide has a molecular weight of 261.37 g/mol, XLogP of 0.13, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide is sourced from PubChem (CID 63584376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).