N-amino-N-nitrosopentanamide

C5H11N3O2 — CID 172967677

IUPACN-amino-N-nitrosopentanamide
SMILESCCCCC(=O)N(N)N=O
InChIInChI=1S/C5H11N3O2/c1-2-3-4-5(9)8(6)7-10/h2-4,6H2,1H3
InChIKeyQBKJMAWSXFGOLC-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.56
Rot. Bonds4

About N-amino-N-nitrosopentanamide

N-amino-N-nitrosopentanamide (PubChem CID 172967677) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is N-amino-N-nitrosopentanamide.

Molecular Properties

Compound NameN-amino-N-nitrosopentanamide
PubChem CID172967677
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC NameN-amino-N-nitrosopentanamide
SMILESCCCCC(=O)N(N)N=O
InChIInChI=1S/C5H11N3O2/c1-2-3-4-5(9)8(6)7-10/h2-4,6H2,1H3
InChIKeyQBKJMAWSXFGOLC-UHFFFAOYSA-N
XLogP0.56
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-nitrosooctanamide
CID 27396
N-butylpentanehydrazide
CID 22613544
N-amino-N-hydroxydocosanamide
CID 87686885
N,N-bis(hydroxymethyl)pentanamide
CID 88793497
N-butyl-N-ethylpentanamide
CID 4629847
azane;N,N-dimethyltetradecanamide;hydrochloride
CID 174348000
N,N-di(undecyl)pentanamide
CID 532896
N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide
CID 77069052
N-methyl-N-pentan-3-ylpentanamide
CID 162142543
acetamide;pentanamide
CID 158041283
N-decanoyl-N-methyldecanamide
CID 141076390
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591

Frequently Asked Questions

What is the IUPAC name of N-amino-N-nitrosopentanamide?
The IUPAC name of N-amino-N-nitrosopentanamide (CID 172967677) is N-amino-N-nitrosopentanamide.
What is the SMILES notation for N-amino-N-nitrosopentanamide?
The canonical SMILES for N-amino-N-nitrosopentanamide is CCCCC(=O)N(N)N=O.
What is the InChIKey of N-amino-N-nitrosopentanamide?
The InChIKey is QBKJMAWSXFGOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-2-3-4-5(9)8(6)7-10/h2-4,6H2,1H3.
What are the key properties of N-amino-N-nitrosopentanamide?
N-amino-N-nitrosopentanamide has a molecular weight of 145.16 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-nitrosopentanamide is sourced from PubChem (CID 172967677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).