3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide

C9H21N3O2 — CID 63583760

IUPAC3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide
SMILESCOCC(C)N(C)C(C)CC(=O)NN
InChIInChI=1S/C9H21N3O2/c1-7(5-9(13)11-10)12(3)8(2)6-14-4/h7-8H,5-6,10H2,1-4H3,(H,11,13)
InChIKeyFBXXPBWJAPWZQY-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.28
Rot. Bonds6

About 3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide

3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide (PubChem CID 63583760) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide
PubChem CID63583760
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide
SMILESCOCC(C)N(C)C(C)CC(=O)NN
InChIInChI=1S/C9H21N3O2/c1-7(5-9(13)11-10)12(3)8(2)6-14-4/h7-8H,5-6,10H2,1-4H3,(H,11,13)
InChIKeyFBXXPBWJAPWZQY-UHFFFAOYSA-N
XLogP-0.28
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.28
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

3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]butanehydrazide
CID 107493119
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 107493159
4-[2-Methoxyethyl(3-methoxypropyl)amino]butanehydrazide
CID 55212094
3-[2-Methoxyethyl(3-methoxypropyl)amino]butanehydrazide
CID 55212095
4-[2-Methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide
CID 55213671
3-[2-Methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide
CID 55213672
4-[2-Methoxyethyl(pentan-3-yl)amino]pentanehydrazide
CID 55214440
3-[Cyclopropyl(2-methoxyethyl)amino]propanehydrazide
CID 55214624
3-(2,6-Dimethylmorpholin-4-yl)butanehydrazide
CID 63568482
3-[Methyl(propan-2-yl)amino]butanehydrazide
CID 63568498
3-[Butyl(methyl)amino]butanehydrazide
CID 63568680
3-(Dipropylamino)butanehydrazide
CID 63569028

Frequently Asked Questions

What is the IUPAC name of 3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide?
The IUPAC name of 3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide (CID 63583760) is 3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide.
What is the SMILES notation for 3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide?
The canonical SMILES for 3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide is COCC(C)N(C)C(C)CC(=O)NN.
What is the InChIKey of 3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide?
The InChIKey is FBXXPBWJAPWZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-7(5-9(13)11-10)12(3)8(2)6-14-4/h7-8H,5-6,10H2,1-4H3,(H,11,13).
What are the key properties of 3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide?
3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide has a molecular weight of 203.29 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide is sourced from PubChem (CID 63583760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).