N'-[2-(hydroxymethyl)-3-methylbutyl]acetohydrazide

C8H18N2O2 — CID 163870208

IUPACN'-[2-(hydroxymethyl)-3-methylbutyl]acetohydrazide
SMILESCC(=O)NNCC(CO)C(C)C
InChIInChI=1S/C8H18N2O2/c1-6(2)8(5-11)4-9-10-7(3)12/h6,8-9,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyPKDDLMOSKUVPTF-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.11
Rot. Bonds5

About N'-[2-(hydroxymethyl)-3-methylbutyl]acetohydrazide

N'-[2-(hydroxymethyl)-3-methylbutyl]acetohydrazide (PubChem CID 163870208) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is N'-[2-(hydroxymethyl)-3-methylbutyl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(hydroxymethyl)-3-methylbutyl]acetohydrazide
PubChem CID163870208
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC NameN'-[2-(hydroxymethyl)-3-methylbutyl]acetohydrazide
SMILESCC(=O)NNCC(CO)C(C)C
InChIInChI=1S/C8H18N2O2/c1-6(2)8(5-11)4-9-10-7(3)12/h6,8-9,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyPKDDLMOSKUVPTF-UHFFFAOYSA-N
XLogP-0.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(hydroxymethyl)-6-methylheptan-2-one
CID 101348452
acetic acid;2-(bromomethyl)-3-methylbutan-1-ol
CID 71401552
N'-acetyl-2-hydroxyacetohydrazide
CID 43558797
N-(5-oxo-2-propan-2-ylhexyl)acetamide
CID 158936357
3-(hydroxymethyl)-4-methylpentanal
CID 139716772
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide
CID 123622831
3-(hydroxymethyl)-4-(methylamino)butan-2-one
CID 59279741
(2-methylpropylamino)urea
CID 55285405
(2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide
CID 130992087
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
2-propan-2-ylpentane-1,4-diol
CID 22619698

Frequently Asked Questions

What is the IUPAC name of N'-[2-(hydroxymethyl)-3-methylbutyl]acetohydrazide?
The IUPAC name of N'-[2-(hydroxymethyl)-3-methylbutyl]acetohydrazide (CID 163870208) is N'-[2-(hydroxymethyl)-3-methylbutyl]acetohydrazide.
What is the SMILES notation for N'-[2-(hydroxymethyl)-3-methylbutyl]acetohydrazide?
The canonical SMILES for N'-[2-(hydroxymethyl)-3-methylbutyl]acetohydrazide is CC(=O)NNCC(CO)C(C)C.
What is the InChIKey of N'-[2-(hydroxymethyl)-3-methylbutyl]acetohydrazide?
The InChIKey is PKDDLMOSKUVPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(2)8(5-11)4-9-10-7(3)12/h6,8-9,11H,4-5H2,1-3H3,(H,10,12).
What are the key properties of N'-[2-(hydroxymethyl)-3-methylbutyl]acetohydrazide?
N'-[2-(hydroxymethyl)-3-methylbutyl]acetohydrazide has a molecular weight of 174.24 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(hydroxymethyl)-3-methylbutyl]acetohydrazide is sourced from PubChem (CID 163870208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).