N-(4-aminooxybutyl)acetohydrazide

C6H15N3O2 — CID 170369707

IUPACN-(4-aminooxybutyl)acetohydrazide
SMILESCC(=O)N(N)CCCCON
InChIInChI=1S/C6H15N3O2/c1-6(10)9(7)4-2-3-5-11-8/h2-5,7-8H2,1H3
InChIKeyNGMKWEPKMGYIEN-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.62
Rot. Bonds5

About N-(4-aminooxybutyl)acetohydrazide

N-(4-aminooxybutyl)acetohydrazide (PubChem CID 170369707) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is N-(4-aminooxybutyl)acetohydrazide.

Molecular Properties

Compound NameN-(4-aminooxybutyl)acetohydrazide
PubChem CID170369707
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC NameN-(4-aminooxybutyl)acetohydrazide
SMILESCC(=O)N(N)CCCCON
InChIInChI=1S/C6H15N3O2/c1-6(10)9(7)4-2-3-5-11-8/h2-5,7-8H2,1H3
InChIKeyNGMKWEPKMGYIEN-UHFFFAOYSA-N
XLogP-0.62
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
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

1-chloropentane;N-pentylacetohydrazide
CID 175581019
O-(12-aminooxydodecyl)hydroxylamine
CID 134994458
5-aminooxypentanoic acid
CID 14989418
N-[2-(2-methylhydrazinyl)ethyl]acetohydrazide
CID 134341705
1-amino-1-[28-[amino(carbamoyl)amino]octacosyl]urea
CID 174875426
19-aminooxynonadecanoic acid
CID 145081852
2-methyl-N-pentylprop-2-enehydrazide
CID 87197020
ethyl 6-aminooxyhexanoate
CID 10559164
O-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride
CID 86737967
azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride
CID 174828907
1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride
CID 174463274
bis[6-(dimethylamino)hexyl] (Z)-but-2-enedioate
CID 87123530

Frequently Asked Questions

What is the IUPAC name of N-(4-aminooxybutyl)acetohydrazide?
The IUPAC name of N-(4-aminooxybutyl)acetohydrazide (CID 170369707) is N-(4-aminooxybutyl)acetohydrazide.
What is the SMILES notation for N-(4-aminooxybutyl)acetohydrazide?
The canonical SMILES for N-(4-aminooxybutyl)acetohydrazide is CC(=O)N(N)CCCCON.
What is the InChIKey of N-(4-aminooxybutyl)acetohydrazide?
The InChIKey is NGMKWEPKMGYIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c1-6(10)9(7)4-2-3-5-11-8/h2-5,7-8H2,1H3.
What are the key properties of N-(4-aminooxybutyl)acetohydrazide?
N-(4-aminooxybutyl)acetohydrazide has a molecular weight of 161.20 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminooxybutyl)acetohydrazide is sourced from PubChem (CID 170369707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).