1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine

C11H24N2O — CID 62477320

IUPAC1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine
SMILESC=C(C)CN(CC)CC(N)CCOC
InChIInChI=1S/C11H24N2O/c1-5-13(8-10(2)3)9-11(12)6-7-14-4/h11H,2,5-9,12H2,1,3-4H3
InChIKeyPJEQEXLUFMJXNC-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.25
Rot. Bonds8

About 1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine

1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine (PubChem CID 62477320) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine
PubChem CID62477320
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine
SMILESC=C(C)CN(CC)CC(N)CCOC
InChIInChI=1S/C11H24N2O/c1-5-13(8-10(2)3)9-11(12)6-7-14-4/h11H,2,5-9,12H2,1,3-4H3
InChIKeyPJEQEXLUFMJXNC-UHFFFAOYSA-N
XLogP1.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine?
The IUPAC name of 1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine (CID 62477320) is 1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine is C=C(C)CN(CC)CC(N)CCOC.
What is the InChIKey of 1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine?
The InChIKey is PJEQEXLUFMJXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-13(8-10(2)3)9-11(12)6-7-14-4/h11H,2,5-9,12H2,1,3-4H3.
What are the key properties of 1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine?
1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-methoxy-1-N-(2-methylprop-2-enyl)butane-1,2-diamine is sourced from PubChem (CID 62477320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).