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

C12H22N2O — CID 88905152

IUPAC(E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine
SMILESC=C/C=C(CN(C)CCOC)\C(N)=C/C
InChIInChI=1S/C12H22N2O/c1-5-7-11(12(13)6-2)10-14(3)8-9-15-4/h5-7H,1,8-10,13H2,2-4H3/b11-7-,12-6+
InChIKeyFJKDTZZQMBXQOA-HZAVHUKASA-N
MW210.32 g/mol
LogP1.54
Rot. Bonds7

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

(E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine (PubChem CID 88905152) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine.

Molecular Properties

Compound Name(E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine
PubChem CID88905152
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine
SMILESC=C/C=C(CN(C)CCOC)\C(N)=C/C
InChIInChI=1S/C12H22N2O/c1-5-7-11(12(13)6-2)10-14(3)8-9-15-4/h5-7H,1,8-10,13H2,2-4H3/b11-7-,12-6+
InChIKeyFJKDTZZQMBXQOA-HZAVHUKASA-N
XLogP1.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine?
The IUPAC name of (E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine (CID 88905152) is (E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine.
What is the SMILES notation for (E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine?
The canonical SMILES for (E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine is C=C/C=C(CN(C)CCOC)\C(N)=C/C.
What is the InChIKey of (E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine?
The InChIKey is FJKDTZZQMBXQOA-HZAVHUKASA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-7-11(12(13)6-2)10-14(3)8-9-15-4/h5-7H,1,8-10,13H2,2-4H3/b11-7-,12-6+.
What are the key properties of (E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine?
(E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine is sourced from PubChem (CID 88905152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).