azane;ethanamine;ethane;methane;nitromethane;propane;hydrate

C19H63N5O7 — CID 158458238

IUPACazane;ethanamine;ethane;methane;nitromethane;propane;hydrate
SMILESC.C.CC.CC.CC.CCC.CCC.CCN.C[N+](=O)[O-].C[N+](=O)[O-].C[N+](=O)[O-].N.O
InChIInChI=1S/2C3H8.C2H7N.3C2H6.3CH3NO2.2CH4.H3N.H2O/c2*1-3-2;1-2-3;3*1-2;3*1-2(3)4;;;;/h2*3H2,1-2H3;2-3H2,1H3;3*1-2H3;3*1H3;2*1H4;1H3;1H2
InChIKeyULQYEGXTSZJEAA-UHFFFAOYSA-N
MW473.74 g/mol
LogP6.16
Rot. Bonds

About azane;ethanamine;ethane;methane;nitromethane;propane;hydrate

azane;ethanamine;ethane;methane;nitromethane;propane;hydrate (PubChem CID 158458238) has the molecular formula C19H63N5O7 and a molecular weight of 473.74 g/mol. Its IUPAC name is azane;ethanamine;ethane;methane;nitromethane;propane;hydrate.

Molecular Properties

Compound Nameazane;ethanamine;ethane;methane;nitromethane;propane;hydrate
PubChem CID158458238
Molecular FormulaC19H63N5O7
Molecular Weight473.74 g/mol
Exact Mass473.47
IUPAC Nameazane;ethanamine;ethane;methane;nitromethane;propane;hydrate
SMILESC.C.CC.CC.CC.CCC.CCC.CCN.C[N+](=O)[O-].C[N+](=O)[O-].C[N+](=O)[O-].N.O
InChIInChI=1S/2C3H8.C2H7N.3C2H6.3CH3NO2.2CH4.H3N.H2O/c2*1-3-2;1-2-3;3*1-2;3*1-2(3)4;;;;/h2*3H2,1-2H3;2-3H2,1H3;3*1-2H3;3*1H3;2*1H4;1H3;1H2
InChIKeyULQYEGXTSZJEAA-UHFFFAOYSA-N
XLogP6.16
TPSA221.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.74
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze azane;ethanamine;ethane;methane;nitromethane;propane;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;ethanamine;ethane;methane;nitromethane;propane;hydrate?
The IUPAC name of azane;ethanamine;ethane;methane;nitromethane;propane;hydrate (CID 158458238) is azane;ethanamine;ethane;methane;nitromethane;propane;hydrate.
What is the SMILES notation for azane;ethanamine;ethane;methane;nitromethane;propane;hydrate?
The canonical SMILES for azane;ethanamine;ethane;methane;nitromethane;propane;hydrate is C.C.CC.CC.CC.CCC.CCC.CCN.C[N+](=O)[O-].C[N+](=O)[O-].C[N+](=O)[O-].N.O.
What is the InChIKey of azane;ethanamine;ethane;methane;nitromethane;propane;hydrate?
The InChIKey is ULQYEGXTSZJEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8.C2H7N.3C2H6.3CH3NO2.2CH4.H3N.H2O/c2*1-3-2;1-2-3;3*1-2;3*1-2(3)4;;;;/h2*3H2,1-2H3;2-3H2,1H3;3*1-2H3;3*1H3;2*1H4;1H3;1H2.
What are the key properties of azane;ethanamine;ethane;methane;nitromethane;propane;hydrate?
azane;ethanamine;ethane;methane;nitromethane;propane;hydrate has a molecular weight of 473.74 g/mol, XLogP of 6.16, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethanamine;ethane;methane;nitromethane;propane;hydrate is sourced from PubChem (CID 158458238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).