N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine

C8H18N2O — CID 145423239

IUPACN-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine
SMILESC=C(NCCCNCC)OC
InChIInChI=1S/C8H18N2O/c1-4-9-6-5-7-10-8(2)11-3/h9-10H,2,4-7H2,1,3H3
InChIKeyIKOMDOBVGZIILK-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.69
Rot. Bonds7

About N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine

N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine (PubChem CID 145423239) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine
PubChem CID145423239
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine
SMILESC=C(NCCCNCC)OC
InChIInChI=1S/C8H18N2O/c1-4-9-6-5-7-10-8(2)11-3/h9-10H,2,4-7H2,1,3H3
InChIKeyIKOMDOBVGZIILK-UHFFFAOYSA-N
XLogP0.69
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine (CID 145423239) is N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine is C=C(NCCCNCC)OC.
What is the InChIKey of N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine?
The InChIKey is IKOMDOBVGZIILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-9-6-5-7-10-8(2)11-3/h9-10H,2,4-7H2,1,3H3.
What are the key properties of N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine?
N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine has a molecular weight of 158.25 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine is sourced from PubChem (CID 145423239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).