3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide

C11H25N3O2 — CID 107206484

IUPAC3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide
SMILESCC(C(=O)NN)C(C)N(C)CCCCCO
InChIInChI=1S/C11H25N3O2/c1-9(11(16)13-12)10(2)14(3)7-5-4-6-8-15/h9-10,15H,4-8,12H2,1-3H3,(H,13,16)
InChIKeyJVSJOQHPXMNSGJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.10
Rot. Bonds8

About 3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide

3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide (PubChem CID 107206484) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide
PubChem CID107206484
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide
SMILESCC(C(=O)NN)C(C)N(C)CCCCCO
InChIInChI=1S/C11H25N3O2/c1-9(11(16)13-12)10(2)14(3)7-5-4-6-8-15/h9-10,15H,4-8,12H2,1-3H3,(H,13,16)
InChIKeyJVSJOQHPXMNSGJ-UHFFFAOYSA-N
XLogP0.10
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.10
H-Bond Donors ≤ 53
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

2-methyl-3-[methyl(2-methylpropyl)amino]butanehydrazide
CID 79409646
2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide
CID 63572653
ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate
CID 103768211
3-[butyl(ethyl)amino]-2-methylbutanehydrazide
CID 79409321
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide
CID 79409118
2-[6-hydroxyhexyl(methyl)amino]propanethioamide
CID 107703801
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198478
4-[5-hydroxypentyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107198553
2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107202680
2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 79409328

Frequently Asked Questions

What is the IUPAC name of 3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide?
The IUPAC name of 3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide (CID 107206484) is 3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide.
What is the SMILES notation for 3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide?
The canonical SMILES for 3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide is CC(C(=O)NN)C(C)N(C)CCCCCO.
What is the InChIKey of 3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide?
The InChIKey is JVSJOQHPXMNSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-9(11(16)13-12)10(2)14(3)7-5-4-6-8-15/h9-10,15H,4-8,12H2,1-3H3,(H,13,16).
What are the key properties of 3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide?
3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide has a molecular weight of 231.34 g/mol, XLogP of 0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide is sourced from PubChem (CID 107206484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).