5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide

C12H27N3O2 — CID 63584308

IUPAC5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide
SMILESCOCCN(CCCCC(=O)NN)CC(C)C
InChIInChI=1S/C12H27N3O2/c1-11(2)10-15(8-9-17-3)7-5-4-6-12(16)14-13/h11H,4-10,13H2,1-3H3,(H,14,16)
InChIKeyATJCMWKQZWOQJB-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.75
Rot. Bonds10

About 5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide

5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide (PubChem CID 63584308) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide.

Molecular Properties

Compound Name5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide
PubChem CID63584308
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide
SMILESCOCCN(CCCCC(=O)NN)CC(C)C
InChIInChI=1S/C12H27N3O2/c1-11(2)10-15(8-9-17-3)7-5-4-6-12(16)14-13/h11H,4-10,13H2,1-3H3,(H,14,16)
InChIKeyATJCMWKQZWOQJB-UHFFFAOYSA-N
XLogP0.75
TPSA67.59 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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
4-[ethyl(2-methoxyethyl)amino]butanehydrazide
CID 63584044
3-[2-methoxyethyl(3-methoxypropyl)amino]propanehydrazide
CID 63582905
N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
CID 54986697
N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine
CID 54985939
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanehydrazide
CID 63585784
methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate
CID 54989932
4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide
CID 63584376
methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate
CID 60649296
N-ethyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)pentane-1,5-diamine
CID 62431554
2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid
CID 63055687
N-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine
CID 62431378

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide?
The IUPAC name of 5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide (CID 63584308) is 5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide.
What is the SMILES notation for 5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide?
The canonical SMILES for 5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide is COCCN(CCCCC(=O)NN)CC(C)C.
What is the InChIKey of 5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide?
The InChIKey is ATJCMWKQZWOQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-11(2)10-15(8-9-17-3)7-5-4-6-12(16)14-13/h11H,4-10,13H2,1-3H3,(H,14,16).
What are the key properties of 5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide?
5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide has a molecular weight of 245.37 g/mol, XLogP of 0.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide is sourced from PubChem (CID 63584308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).