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

C6H14N2O — CID 139354665

IUPAC(E)-1-methoxy-3-methylbut-1-ene-1,2-diamine
SMILESCO/C(N)=C(/N)C(C)C
InChIInChI=1S/C6H14N2O/c1-4(2)5(7)6(8)9-3/h4H,7-8H2,1-3H3/b6-5+
InChIKeyQWXINNOWGXNBFS-AATRIKPKSA-N
MW130.19 g/mol
LogP0.38
Rot. Bonds2

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

(E)-1-methoxy-3-methylbut-1-ene-1,2-diamine (PubChem CID 139354665) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (E)-1-methoxy-3-methylbut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-methoxy-3-methylbut-1-ene-1,2-diamine
PubChem CID139354665
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(E)-1-methoxy-3-methylbut-1-ene-1,2-diamine
SMILESCO/C(N)=C(/N)C(C)C
InChIInChI=1S/C6H14N2O/c1-4(2)5(7)6(8)9-3/h4H,7-8H2,1-3H3/b6-5+
InChIKeyQWXINNOWGXNBFS-AATRIKPKSA-N
XLogP0.38
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxy-3-methylbut-1-ene-1,2-diamine?
The IUPAC name of (E)-1-methoxy-3-methylbut-1-ene-1,2-diamine (CID 139354665) is (E)-1-methoxy-3-methylbut-1-ene-1,2-diamine.
What is the SMILES notation for (E)-1-methoxy-3-methylbut-1-ene-1,2-diamine?
The canonical SMILES for (E)-1-methoxy-3-methylbut-1-ene-1,2-diamine is CO/C(N)=C(/N)C(C)C.
What is the InChIKey of (E)-1-methoxy-3-methylbut-1-ene-1,2-diamine?
The InChIKey is QWXINNOWGXNBFS-AATRIKPKSA-N. The full InChI is InChI=1S/C6H14N2O/c1-4(2)5(7)6(8)9-3/h4H,7-8H2,1-3H3/b6-5+.
What are the key properties of (E)-1-methoxy-3-methylbut-1-ene-1,2-diamine?
(E)-1-methoxy-3-methylbut-1-ene-1,2-diamine has a molecular weight of 130.19 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxy-3-methylbut-1-ene-1,2-diamine is sourced from PubChem (CID 139354665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).