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

C11H20N2O — CID 88905153

IUPAC(E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine
SMILESC=C/C=C(CNCCOC)\C(N)=C/C
InChIInChI=1S/C11H20N2O/c1-4-6-10(11(12)5-2)9-13-7-8-14-3/h4-6,13H,1,7-9,12H2,2-3H3/b10-6-,11-5+
InChIKeyIMLAQXZSPQMWDZ-RECYIEQESA-N
MW196.29 g/mol
LogP1.20
Rot. Bonds7

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

(E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine (PubChem CID 88905153) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine.

Molecular Properties

Compound Name(E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine
PubChem CID88905153
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine
SMILESC=C/C=C(CNCCOC)\C(N)=C/C
InChIInChI=1S/C11H20N2O/c1-4-6-10(11(12)5-2)9-13-7-8-14-3/h4-6,13H,1,7-9,12H2,2-3H3/b10-6-,11-5+
InChIKeyIMLAQXZSPQMWDZ-RECYIEQESA-N
XLogP1.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine?
The IUPAC name of (E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine (CID 88905153) is (E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine.
What is the SMILES notation for (E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine?
The canonical SMILES for (E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine is C=C/C=C(CNCCOC)\C(N)=C/C.
What is the InChIKey of (E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine?
The InChIKey is IMLAQXZSPQMWDZ-RECYIEQESA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-6-10(11(12)5-2)9-13-7-8-14-3/h4-6,13H,1,7-9,12H2,2-3H3/b10-6-,11-5+.
What are the key properties of (E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine?
(E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine is sourced from PubChem (CID 88905153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).