(Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine

C11H20N2 — CID 122609910

IUPAC(Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine
SMILESC=C/C=C(\C=C/N)CN(C)CCC
InChIInChI=1S/C11H20N2/c1-4-6-11(7-8-12)10-13(3)9-5-2/h4,6-8H,1,5,9-10,12H2,2-3H3/b8-7-,11-6+
InChIKeyXIIRALSNUJWAOM-YKFSIMETSA-N
MW180.29 g/mol
LogP1.91
Rot. Bonds6

About (Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine

(Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine (PubChem CID 122609910) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine
PubChem CID122609910
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine
SMILESC=C/C=C(\C=C/N)CN(C)CCC
InChIInChI=1S/C11H20N2/c1-4-6-11(7-8-12)10-13(3)9-5-2/h4,6-8H,1,5,9-10,12H2,2-3H3/b8-7-,11-6+
InChIKeyXIIRALSNUJWAOM-YKFSIMETSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.91
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 (Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine?
The IUPAC name of (Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine (CID 122609910) is (Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine.
What is the SMILES notation for (Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine?
The canonical SMILES for (Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine is C=C/C=C(\C=C/N)CN(C)CCC.
What is the InChIKey of (Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine?
The InChIKey is XIIRALSNUJWAOM-YKFSIMETSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-6-11(7-8-12)10-13(3)9-5-2/h4,6-8H,1,5,9-10,12H2,2-3H3/b8-7-,11-6+.
What are the key properties of (Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine?
(Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine has a molecular weight of 180.29 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine is sourced from PubChem (CID 122609910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).