(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine

C10H19NO — CID 89090915

IUPAC(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine
SMILESC/C=C(\C=C/C(C)OC)CNC
InChIInChI=1S/C10H19NO/c1-5-10(8-11-3)7-6-9(2)12-4/h5-7,9,11H,8H2,1-4H3/b7-6-,10-5+
InChIKeyRKGISKDCVXMOAD-JQEGGOPCSA-N
MW169.27 g/mol
LogP1.74
Rot. Bonds5

About (Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine

(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine (PubChem CID 89090915) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine
PubChem CID89090915
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine
SMILESC/C=C(\C=C/C(C)OC)CNC
InChIInChI=1S/C10H19NO/c1-5-10(8-11-3)7-6-9(2)12-4/h5-7,9,11H,8H2,1-4H3/b7-6-,10-5+
InChIKeyRKGISKDCVXMOAD-JQEGGOPCSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.74
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,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine?
The IUPAC name of (Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine (CID 89090915) is (Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine.
What is the SMILES notation for (Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine?
The canonical SMILES for (Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine is C/C=C(\C=C/C(C)OC)CNC.
What is the InChIKey of (Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine?
The InChIKey is RKGISKDCVXMOAD-JQEGGOPCSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-10(8-11-3)7-6-9(2)12-4/h5-7,9,11H,8H2,1-4H3/b7-6-,10-5+.
What are the key properties of (Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine?
(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine is sourced from PubChem (CID 89090915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).