N-amino-N-pentylnitramide

C5H13N3O2 — CID 87240827

IUPACN-amino-N-pentylnitramide
SMILESCCCCCN(N)[N+](=O)[O-]
InChIInChI=1S/C5H13N3O2/c1-2-3-4-5-7(6)8(9)10/h2-6H2,1H3
InChIKeyPUHHRDLSSQAUBP-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.70
Rot. Bonds4

About N-amino-N-pentylnitramide

N-amino-N-pentylnitramide (PubChem CID 87240827) has the molecular formula C5H13N3O2 and a molecular weight of 147.18 g/mol. Its IUPAC name is N-amino-N-pentylnitramide.

Molecular Properties

Compound NameN-amino-N-pentylnitramide
PubChem CID87240827
Molecular FormulaC5H13N3O2
Molecular Weight147.18 g/mol
Exact Mass147.10
IUPAC NameN-amino-N-pentylnitramide
SMILESCCCCCN(N)[N+](=O)[O-]
InChIInChI=1S/C5H13N3O2/c1-2-3-4-5-7(6)8(9)10/h2-6H2,1H3
InChIKeyPUHHRDLSSQAUBP-UHFFFAOYSA-N
XLogP1.70
TPSA75.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity102

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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

Azanium butyl(nitro)azanide
CID 134897220
Azanium hexyl(nitro)azanide
CID 134897378
N-nitro-N-pentylnitramide
CID 12528957
Nitro(pentyl)azanide
CID 87440132
Hexyl(nitro)azanide
CID 12425387
N-Pentylnitrous hydrazide
CID 12452673

Frequently Asked Questions

What is the IUPAC name of N-amino-N-pentylnitramide?
The IUPAC name of N-amino-N-pentylnitramide (CID 87240827) is N-amino-N-pentylnitramide.
What is the SMILES notation for N-amino-N-pentylnitramide?
The canonical SMILES for N-amino-N-pentylnitramide is CCCCCN(N)[N+](=O)[O-].
What is the InChIKey of N-amino-N-pentylnitramide?
The InChIKey is PUHHRDLSSQAUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2/c1-2-3-4-5-7(6)8(9)10/h2-6H2,1H3.
What are the key properties of N-amino-N-pentylnitramide?
N-amino-N-pentylnitramide has a molecular weight of 147.18 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-pentylnitramide is sourced from PubChem (CID 87240827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).