1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine

C12H26N2O — CID 81102111

IUPAC1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine
SMILESC=C(C)CN(CC)CC(N)CCCOC
InChIInChI=1S/C12H26N2O/c1-5-14(9-11(2)3)10-12(13)7-6-8-15-4/h12H,2,5-10,13H2,1,3-4H3
InChIKeyLFGSHDURAGFHGV-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.64
Rot. Bonds9

About 1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine

1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine (PubChem CID 81102111) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine
PubChem CID81102111
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine
SMILESC=C(C)CN(CC)CC(N)CCCOC
InChIInChI=1S/C12H26N2O/c1-5-14(9-11(2)3)10-12(13)7-6-8-15-4/h12H,2,5-10,13H2,1,3-4H3
InChIKeyLFGSHDURAGFHGV-UHFFFAOYSA-N
XLogP1.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine?
The IUPAC name of 1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine (CID 81102111) is 1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine is C=C(C)CN(CC)CC(N)CCCOC.
What is the InChIKey of 1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine?
The InChIKey is LFGSHDURAGFHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-14(9-11(2)3)10-12(13)7-6-8-15-4/h12H,2,5-10,13H2,1,3-4H3.
What are the key properties of 1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine?
1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine is sourced from PubChem (CID 81102111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).