3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide

C11H23N3O2 — CID 63706863

IUPAC3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)CC1CCCOC1
InChIInChI=1S/C11H23N3O2/c1-9(6-11(15)13-12)14(2)7-10-4-3-5-16-8-10/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyYLRWFDGMFAHEBK-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.11
Rot. Bonds5

About 3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide

3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide (PubChem CID 63706863) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide
PubChem CID63706863
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)CC1CCCOC1
InChIInChI=1S/C11H23N3O2/c1-9(6-11(15)13-12)14(2)7-10-4-3-5-16-8-10/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyYLRWFDGMFAHEBK-UHFFFAOYSA-N
XLogP0.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.11
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-[cyclopentylmethyl(methyl)amino]butanehydrazide
CID 63656548
methyl 3-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63713446
3-[methyl(oxan-3-ylmethyl)amino]butanimidamide
CID 63712398
4-[cyclohexylmethyl(methyl)amino]pentanehydrazide
CID 63577696
4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide
CID 66432240
2-methyl-4-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentanoic acid
CID 64705224
2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide
CID 63707200
(3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide
CID 95121560
4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine
CID 55225870
2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine
CID 63727178
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide
CID 79317659

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide?
The IUPAC name of 3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide (CID 63706863) is 3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide.
What is the SMILES notation for 3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide?
The canonical SMILES for 3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide is CC(CC(=O)NN)N(C)CC1CCCOC1.
What is the InChIKey of 3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide?
The InChIKey is YLRWFDGMFAHEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(6-11(15)13-12)14(2)7-10-4-3-5-16-8-10/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide?
3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide has a molecular weight of 229.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide is sourced from PubChem (CID 63706863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).