2-[3-(diethylamino)propyl-ethylamino]butanehydrazide

C13H30N4O — CID 102998207

IUPAC2-[3-(diethylamino)propyl-ethylamino]butanehydrazide
SMILESCCC(C(=O)NN)N(CC)CCCN(CC)CC
InChIInChI=1S/C13H30N4O/c1-5-12(13(18)15-14)17(8-4)11-9-10-16(6-2)7-3/h12H,5-11,14H2,1-4H3,(H,15,18)
InChIKeyCOHQNTMBUAJYRD-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.81
Rot. Bonds10

About 2-[3-(diethylamino)propyl-ethylamino]butanehydrazide

2-[3-(diethylamino)propyl-ethylamino]butanehydrazide (PubChem CID 102998207) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl-ethylamino]butanehydrazide.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl-ethylamino]butanehydrazide
PubChem CID102998207
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC Name2-[3-(diethylamino)propyl-ethylamino]butanehydrazide
SMILESCCC(C(=O)NN)N(CC)CCCN(CC)CC
InChIInChI=1S/C13H30N4O/c1-5-12(13(18)15-14)17(8-4)11-9-10-16(6-2)7-3/h12H,5-11,14H2,1-4H3,(H,15,18)
InChIKeyCOHQNTMBUAJYRD-UHFFFAOYSA-N
XLogP0.81
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 50.81
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-[bis(2-hydroxyethyl)amino]butanehydrazide
CID 63573033
2-[bis(2-methylpropyl)amino]butanehydrazide
CID 63585587
(2S)-2-(dimethylamino)butanehydrazide
CID 30403559
2-[ethyl(2-methoxyethyl)amino]-3-methoxypropanehydrazide
CID 103229639
2-[butan-2-yl(ethyl)amino]butanehydrazide
CID 63571401
ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate
CID 102994723
3-[butyl(ethyl)amino]-2-methylbutanehydrazide
CID 79409321
methyl 2-cyclopropyl-2-[3-(diethylamino)propyl-ethylamino]acetate
CID 102994748
6-[3-(diethylamino)propyl-ethylamino]hexanehydrazide
CID 102998195
(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide
CID 79025244
4-amino-3-[3-(diethylamino)propyl-ethylamino]-N-ethylbutanamide
CID 102992088
2-[butyl(2-hydroxyethyl)amino]pentanehydrazide
CID 83047801

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl-ethylamino]butanehydrazide?
The IUPAC name of 2-[3-(diethylamino)propyl-ethylamino]butanehydrazide (CID 102998207) is 2-[3-(diethylamino)propyl-ethylamino]butanehydrazide.
What is the SMILES notation for 2-[3-(diethylamino)propyl-ethylamino]butanehydrazide?
The canonical SMILES for 2-[3-(diethylamino)propyl-ethylamino]butanehydrazide is CCC(C(=O)NN)N(CC)CCCN(CC)CC.
What is the InChIKey of 2-[3-(diethylamino)propyl-ethylamino]butanehydrazide?
The InChIKey is COHQNTMBUAJYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-5-12(13(18)15-14)17(8-4)11-9-10-16(6-2)7-3/h12H,5-11,14H2,1-4H3,(H,15,18).
What are the key properties of 2-[3-(diethylamino)propyl-ethylamino]butanehydrazide?
2-[3-(diethylamino)propyl-ethylamino]butanehydrazide has a molecular weight of 258.41 g/mol, XLogP of 0.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propyl-ethylamino]butanehydrazide is sourced from PubChem (CID 102998207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).