azane;propan-1-ol;hydrate

C3H13NO2 — CID 19966618

IUPACazane;propan-1-ol;hydrate
SMILESCCCO.N.O
InChIInChI=1S/C3H8O.H3N.H2O/c1-2-3-4;;/h4H,2-3H2,1H3;1H3;1H2
InChIKeyFEXNYJPGOQOIOL-UHFFFAOYSA-N
MW95.14 g/mol
LogP-0.27
Rot. Bonds1

About azane;propan-1-ol;hydrate

azane;propan-1-ol;hydrate (PubChem CID 19966618) has the molecular formula C3H13NO2 and a molecular weight of 95.14 g/mol. Its IUPAC name is azane;propan-1-ol;hydrate.

Molecular Properties

Compound Nameazane;propan-1-ol;hydrate
PubChem CID19966618
Molecular FormulaC3H13NO2
Molecular Weight95.14 g/mol
Exact Mass95.09
IUPAC Nameazane;propan-1-ol;hydrate
SMILESCCCO.N.O
InChIInChI=1S/C3H8O.H3N.H2O/c1-2-3-4;;/h4H,2-3H2,1H3;1H3;1H2
InChIKeyFEXNYJPGOQOIOL-UHFFFAOYSA-N
XLogP-0.27
TPSA86.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze azane;propan-1-ol;hydrate with MolForge

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

Launch Full Analysis

Related Compounds

1-Propanol
CID 1031
Ethanol, reaction products with ammonia, distn. residues
CID 22020343
Monodeuteropropyl alcohol
CID 12201043
1-Propanol-1,1-d2
CID 12201038
(2,2-~2~H_2_)Propan-1-ol
CID 12201030
Propyl-d7 alcohol
CID 12201032
1-Propanol-1-13C
CID 12201039
1-Propanol-3,3,3-d3
CID 12201040
3-(Aminooxy)propan-1-ol
CID 12770639
1-Propanol-d8
CID 16213475
(~13~C_3_)Propan-1-ol
CID 71309548
1-Deuteriopropanol
CID 12201037

Frequently Asked Questions

What is the IUPAC name of azane;propan-1-ol;hydrate?
The IUPAC name of azane;propan-1-ol;hydrate (CID 19966618) is azane;propan-1-ol;hydrate.
What is the SMILES notation for azane;propan-1-ol;hydrate?
The canonical SMILES for azane;propan-1-ol;hydrate is CCCO.N.O.
What is the InChIKey of azane;propan-1-ol;hydrate?
The InChIKey is FEXNYJPGOQOIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.H3N.H2O/c1-2-3-4;;/h4H,2-3H2,1H3;1H3;1H2.
What are the key properties of azane;propan-1-ol;hydrate?
azane;propan-1-ol;hydrate has a molecular weight of 95.14 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;propan-1-ol;hydrate is sourced from PubChem (CID 19966618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).