N-ethylethanamine;non-1-ene

C13H29N — CID 87089176

IUPACN-ethylethanamine;non-1-ene
SMILESC=CCCCCCCC.CCNCC
InChIInChI=1S/C9H18.C4H11N/c1-3-5-7-9-8-6-4-2;1-3-5-4-2/h3H,1,4-9H2,2H3;5H,3-4H2,1-2H3
InChIKeyGKRAEJJPZOLWNL-UHFFFAOYSA-N
MW199.38 g/mol
LogP4.15
Rot. Bonds8

About N-ethylethanamine;non-1-ene

N-ethylethanamine;non-1-ene (PubChem CID 87089176) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-ethylethanamine;non-1-ene.

Molecular Properties

Compound NameN-ethylethanamine;non-1-ene
PubChem CID87089176
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-ethylethanamine;non-1-ene
SMILESC=CCCCCCCC.CCNCC
InChIInChI=1S/C9H18.C4H11N/c1-3-5-7-9-8-6-4-2;1-3-5-4-2/h3H,1,4-9H2,2H3;5H,3-4H2,1-2H3
InChIKeyGKRAEJJPZOLWNL-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;ethene
CID 161044144
oct-1-ene;tetrahydrochloride
CID 172847494
oct-1-ene;hydrobromide
CID 88838560
dodec-1-ene;ethene
CID 158697165
tetrakis(but-1-ene);oct-1-ene
CID 158942238
azane;undec-1-ene;hydrobromide
CID 175982130

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;non-1-ene?
The IUPAC name of N-ethylethanamine;non-1-ene (CID 87089176) is N-ethylethanamine;non-1-ene.
What is the SMILES notation for N-ethylethanamine;non-1-ene?
The canonical SMILES for N-ethylethanamine;non-1-ene is C=CCCCCCCC.CCNCC.
What is the InChIKey of N-ethylethanamine;non-1-ene?
The InChIKey is GKRAEJJPZOLWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C4H11N/c1-3-5-7-9-8-6-4-2;1-3-5-4-2/h3H,1,4-9H2,2H3;5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;non-1-ene?
N-ethylethanamine;non-1-ene has a molecular weight of 199.38 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;non-1-ene is sourced from PubChem (CID 87089176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).