(Z,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine

C11H20N2 — CID 89120825

IUPAC(Z,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine
SMILESC=C(C)/C=C(\C=C(\C)N)CNCC
InChIInChI=1S/C11H20N2/c1-5-13-8-11(6-9(2)3)7-10(4)12/h6-7,13H,2,5,8,12H2,1,3-4H3/b10-7-,11-6+
InChIKeyNQCQGHUZBKXAQZ-IKVLVDHLSA-N
MW180.29 g/mol
LogP1.96
Rot. Bonds5

About (Z,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine

(Z,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine (PubChem CID 89120825) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (Z,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine.

Molecular Properties

Compound Name(Z,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine
PubChem CID89120825
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(Z,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine
SMILESC=C(C)/C=C(\C=C(\C)N)CNCC
InChIInChI=1S/C11H20N2/c1-5-13-8-11(6-9(2)3)7-10(4)12/h6-7,13H,2,5,8,12H2,1,3-4H3/b10-7-,11-6+
InChIKeyNQCQGHUZBKXAQZ-IKVLVDHLSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
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,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine?
The IUPAC name of (Z,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine (CID 89120825) is (Z,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine.
What is the SMILES notation for (Z,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine?
The canonical SMILES for (Z,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine is C=C(C)/C=C(\C=C(\C)N)CNCC.
What is the InChIKey of (Z,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine?
The InChIKey is NQCQGHUZBKXAQZ-IKVLVDHLSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-13-8-11(6-9(2)3)7-10(4)12/h6-7,13H,2,5,8,12H2,1,3-4H3/b10-7-,11-6+.
What are the key properties of (Z,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine?
(Z,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine has a molecular weight of 180.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine is sourced from PubChem (CID 89120825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).