ethanamine;ethene;hydrate

C4H13NO — CID 175328912

IUPACethanamine;ethene;hydrate
SMILESC=C.CCN.O
InChIInChI=1S/C2H7N.C2H4.H2O/c1-2-3;1-2;/h2-3H2,1H3;1-2H2;1H2
InChIKeyNJWRYWHVQXXMOY-UHFFFAOYSA-N
MW91.15 g/mol
LogP-0.06
Rot. Bonds

About ethanamine;ethene;hydrate

ethanamine;ethene;hydrate (PubChem CID 175328912) has the molecular formula C4H13NO and a molecular weight of 91.15 g/mol. Its IUPAC name is ethanamine;ethene;hydrate.

Molecular Properties

Compound Nameethanamine;ethene;hydrate
PubChem CID175328912
Molecular FormulaC4H13NO
Molecular Weight91.15 g/mol
Exact Mass91.10
IUPAC Nameethanamine;ethene;hydrate
SMILESC=C.CCN.O
InChIInChI=1S/C2H7N.C2H4.H2O/c1-2-3;1-2;/h2-3H2,1H3;1-2H2;1H2
InChIKeyNJWRYWHVQXXMOY-UHFFFAOYSA-N
XLogP-0.06
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethanamine;ethane-1,2-diamine;ethene
CID 22315764
ethanamine;hydrate;dihydrochloride
CID 174570263
ethanamine;ethane
CID 22406574
ethanamine;dihydrofluoride
CID 173025850
ethanamine;yttrium
CID 158796558
CID 88517932
CID 88517932
ethanamine;ethane
CID 142339743
ethanamine;dihydrochloride
CID 173015801
ethanamine;tetrahydrochloride
CID 175906401
argon;ethanamine;methane
CID 159572652
ethanamine;methanol
CID 159539719
ethanamine;stannane;hydrochloride
CID 173419360

Frequently Asked Questions

What is the IUPAC name of ethanamine;ethene;hydrate?
The IUPAC name of ethanamine;ethene;hydrate (CID 175328912) is ethanamine;ethene;hydrate.
What is the SMILES notation for ethanamine;ethene;hydrate?
The canonical SMILES for ethanamine;ethene;hydrate is C=C.CCN.O.
What is the InChIKey of ethanamine;ethene;hydrate?
The InChIKey is NJWRYWHVQXXMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.C2H4.H2O/c1-2-3;1-2;/h2-3H2,1H3;1-2H2;1H2.
What are the key properties of ethanamine;ethene;hydrate?
ethanamine;ethene;hydrate has a molecular weight of 91.15 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;ethene;hydrate is sourced from PubChem (CID 175328912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).