(E)-1-methoxy-2-N-methylbut-2-ene-2,3-diamine

C6H14N2O — CID 134527633

IUPAC(E)-1-methoxy-2-N-methylbut-2-ene-2,3-diamine
SMILESCN/C(COC)=C(\C)N
InChIInChI=1S/C6H14N2O/c1-5(7)6(8-2)4-9-3/h8H,4,7H2,1-3H3/b6-5+
InChIKeyDTILAIUUSYILJT-AATRIKPKSA-N
MW130.19 g/mol
LogP0.04
Rot. Bonds3

About (E)-1-methoxy-2-N-methylbut-2-ene-2,3-diamine

(E)-1-methoxy-2-N-methylbut-2-ene-2,3-diamine (PubChem CID 134527633) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (E)-1-methoxy-2-N-methylbut-2-ene-2,3-diamine.

Molecular Properties

Compound Name(E)-1-methoxy-2-N-methylbut-2-ene-2,3-diamine
PubChem CID134527633
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(E)-1-methoxy-2-N-methylbut-2-ene-2,3-diamine
SMILESCN/C(COC)=C(\C)N
InChIInChI=1S/C6H14N2O/c1-5(7)6(8-2)4-9-3/h8H,4,7H2,1-3H3/b6-5+
InChIKeyDTILAIUUSYILJT-AATRIKPKSA-N
XLogP0.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxy-2-N-methylbut-2-ene-2,3-diamine?
The IUPAC name of (E)-1-methoxy-2-N-methylbut-2-ene-2,3-diamine (CID 134527633) is (E)-1-methoxy-2-N-methylbut-2-ene-2,3-diamine.
What is the SMILES notation for (E)-1-methoxy-2-N-methylbut-2-ene-2,3-diamine?
The canonical SMILES for (E)-1-methoxy-2-N-methylbut-2-ene-2,3-diamine is CN/C(COC)=C(\C)N.
What is the InChIKey of (E)-1-methoxy-2-N-methylbut-2-ene-2,3-diamine?
The InChIKey is DTILAIUUSYILJT-AATRIKPKSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(7)6(8-2)4-9-3/h8H,4,7H2,1-3H3/b6-5+.
What are the key properties of (E)-1-methoxy-2-N-methylbut-2-ene-2,3-diamine?
(E)-1-methoxy-2-N-methylbut-2-ene-2,3-diamine has a molecular weight of 130.19 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxy-2-N-methylbut-2-ene-2,3-diamine is sourced from PubChem (CID 134527633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).