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

C13H24N2 — CID 89450150

IUPAC(E,2Z)-1-N-butyl-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine
SMILESC=C/C=C(CN(C)CCCC)\C(N)=C/C
InChIInChI=1S/C13H24N2/c1-5-8-10-15(4)11-12(9-6-2)13(14)7-3/h6-7,9H,2,5,8,10-11,14H2,1,3-4H3/b12-9-,13-7+
InChIKeyDKTIIYRJARZDPL-GMSDNAJOSA-N
MW208.35 g/mol
LogP2.69
Rot. Bonds7

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

(E,2Z)-1-N-butyl-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine (PubChem CID 89450150) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (E,2Z)-1-N-butyl-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine.

Molecular Properties

Compound Name(E,2Z)-1-N-butyl-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine
PubChem CID89450150
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(E,2Z)-1-N-butyl-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine
SMILESC=C/C=C(CN(C)CCCC)\C(N)=C/C
InChIInChI=1S/C13H24N2/c1-5-8-10-15(4)11-12(9-6-2)13(14)7-3/h6-7,9H,2,5,8,10-11,14H2,1,3-4H3/b12-9-,13-7+
InChIKeyDKTIIYRJARZDPL-GMSDNAJOSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-butyl-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine?
The IUPAC name of (E,2Z)-1-N-butyl-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine (CID 89450150) is (E,2Z)-1-N-butyl-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine.
What is the SMILES notation for (E,2Z)-1-N-butyl-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine?
The canonical SMILES for (E,2Z)-1-N-butyl-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine is C=C/C=C(CN(C)CCCC)\C(N)=C/C.
What is the InChIKey of (E,2Z)-1-N-butyl-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine?
The InChIKey is DKTIIYRJARZDPL-GMSDNAJOSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-8-10-15(4)11-12(9-6-2)13(14)7-3/h6-7,9H,2,5,8,10-11,14H2,1,3-4H3/b12-9-,13-7+.
What are the key properties of (E,2Z)-1-N-butyl-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine?
(E,2Z)-1-N-butyl-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine has a molecular weight of 208.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-1-N-butyl-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine is sourced from PubChem (CID 89450150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).