4-[ethyl(propan-2-yl)amino]butanehydrazide

C9H21N3O — CID 63573828

IUPAC4-[ethyl(propan-2-yl)amino]butanehydrazide
SMILESCCN(CCCC(=O)NN)C(C)C
InChIInChI=1S/C9H21N3O/c1-4-12(8(2)3)7-5-6-9(13)11-10/h8H,4-7,10H2,1-3H3,(H,11,13)
InChIKeyHITJTZUHFDDGPM-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.49
Rot. Bonds6

About 4-[ethyl(propan-2-yl)amino]butanehydrazide

4-[ethyl(propan-2-yl)amino]butanehydrazide (PubChem CID 63573828) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-[ethyl(propan-2-yl)amino]butanehydrazide.

Molecular Properties

Compound Name4-[ethyl(propan-2-yl)amino]butanehydrazide
PubChem CID63573828
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name4-[ethyl(propan-2-yl)amino]butanehydrazide
SMILESCCN(CCCC(=O)NN)C(C)C
InChIInChI=1S/C9H21N3O/c1-4-12(8(2)3)7-5-6-9(13)11-10/h8H,4-7,10H2,1-3H3,(H,11,13)
InChIKeyHITJTZUHFDDGPM-UHFFFAOYSA-N
XLogP0.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-[pentyl(propan-2-yl)amino]pentanehydrazide
CID 55214628
6-[2-methoxyethyl(propan-2-yl)amino]hexanehydrazide
CID 82965230
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
3-[butan-2-yl(butyl)amino]propanehydrazide
CID 63577909
N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide
CID 146482077
4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide
CID 63584376
2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide
CID 55214049
3-[ethyl-[4-(methylamino)-4-oxobutyl]amino]butanoic acid
CID 63892314
4-[ethyl(2-methoxyethyl)amino]butanehydrazide
CID 63584044
N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265362
6-[3-(diethylamino)propyl-ethylamino]hexanehydrazide
CID 102998195
N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265468

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propan-2-yl)amino]butanehydrazide?
The IUPAC name of 4-[ethyl(propan-2-yl)amino]butanehydrazide (CID 63573828) is 4-[ethyl(propan-2-yl)amino]butanehydrazide.
What is the SMILES notation for 4-[ethyl(propan-2-yl)amino]butanehydrazide?
The canonical SMILES for 4-[ethyl(propan-2-yl)amino]butanehydrazide is CCN(CCCC(=O)NN)C(C)C.
What is the InChIKey of 4-[ethyl(propan-2-yl)amino]butanehydrazide?
The InChIKey is HITJTZUHFDDGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-4-12(8(2)3)7-5-6-9(13)11-10/h8H,4-7,10H2,1-3H3,(H,11,13).
What are the key properties of 4-[ethyl(propan-2-yl)amino]butanehydrazide?
4-[ethyl(propan-2-yl)amino]butanehydrazide has a molecular weight of 187.29 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propan-2-yl)amino]butanehydrazide is sourced from PubChem (CID 63573828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).