azane;ethene;propan-1-ol

C9H26N2O — CID 173299336

IUPACazane;ethene;propan-1-ol
SMILESC=C.C=C.C=C.CCCO.N.N
InChIInChI=1S/C3H8O.3C2H4.2H3N/c1-2-3-4;3*1-2;;/h4H,2-3H2,1H3;3*1-2H2;2*1H3
InChIKeyRSLFEMGCAQQRPZ-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.12
Rot. Bonds1

About azane;ethene;propan-1-ol

azane;ethene;propan-1-ol (PubChem CID 173299336) has the molecular formula C9H26N2O and a molecular weight of 178.32 g/mol. Its IUPAC name is azane;ethene;propan-1-ol.

Molecular Properties

Compound Nameazane;ethene;propan-1-ol
PubChem CID173299336
Molecular FormulaC9H26N2O
Molecular Weight178.32 g/mol
Exact Mass178.20
IUPAC Nameazane;ethene;propan-1-ol
SMILESC=C.C=C.C=C.CCCO.N.N
InChIInChI=1S/C3H8O.3C2H4.2H3N/c1-2-3-4;3*1-2;;/h4H,2-3H2,1H3;3*1-2H2;2*1H3
InChIKeyRSLFEMGCAQQRPZ-UHFFFAOYSA-N
XLogP3.12
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 19710776
propan-1-ol;hydroiodide
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bis(propan-1-ol);yttrium
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phosphane;tris(propan-1-ol)
CID 172777513
CID 6391766
CID 6391766
niobium;hexakis(propan-1-ol)
CID 142301963
nickel;propan-1-ol
CID 22476953
tris(propan-1-ol);zirconium;chloride
CID 18944786
methanol;propan-1-ol;zinc
CID 150799125
methane;bis(propan-1-ol);tungsten
CID 161195602
sodium;propan-1-ol;iodide
CID 174317067
tris(propan-1-ol);vanadium(2+);dichloride
CID 88503682

Frequently Asked Questions

What is the IUPAC name of azane;ethene;propan-1-ol?
The IUPAC name of azane;ethene;propan-1-ol (CID 173299336) is azane;ethene;propan-1-ol.
What is the SMILES notation for azane;ethene;propan-1-ol?
The canonical SMILES for azane;ethene;propan-1-ol is C=C.C=C.C=C.CCCO.N.N.
What is the InChIKey of azane;ethene;propan-1-ol?
The InChIKey is RSLFEMGCAQQRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.3C2H4.2H3N/c1-2-3-4;3*1-2;;/h4H,2-3H2,1H3;3*1-2H2;2*1H3.
What are the key properties of azane;ethene;propan-1-ol?
azane;ethene;propan-1-ol has a molecular weight of 178.32 g/mol, XLogP of 3.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethene;propan-1-ol is sourced from PubChem (CID 173299336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).