(E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine

C6H14N2O — CID 139409566

IUPAC(E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine
SMILESCOCCN/C=C/CN
InChIInChI=1S/C6H14N2O/c1-9-6-5-8-4-2-3-7/h2,4,8H,3,5-7H2,1H3/b4-2+
InChIKeyRAYROVFCXRQNEU-DUXPYHPUSA-N
MW130.19 g/mol
LogP-0.31
Rot. Bonds5

About (E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine

(E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine (PubChem CID 139409566) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine
PubChem CID139409566
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine
SMILESCOCCN/C=C/CN
InChIInChI=1S/C6H14N2O/c1-9-6-5-8-4-2-3-7/h2,4,8H,3,5-7H2,1H3/b4-2+
InChIKeyRAYROVFCXRQNEU-DUXPYHPUSA-N
XLogP-0.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine?
The IUPAC name of (E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine (CID 139409566) is (E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine?
The canonical SMILES for (E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine is COCCN/C=C/CN.
What is the InChIKey of (E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine?
The InChIKey is RAYROVFCXRQNEU-DUXPYHPUSA-N. The full InChI is InChI=1S/C6H14N2O/c1-9-6-5-8-4-2-3-7/h2,4,8H,3,5-7H2,1H3/b4-2+.
What are the key properties of (E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine?
(E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine has a molecular weight of 130.19 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 139409566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).