(Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine

C11H19N — CID 89312021

IUPAC(Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine
SMILESC/C=C/N=C/C(C)(C)/C=C\CC
InChIInChI=1S/C11H19N/c1-5-7-8-11(3,4)10-12-9-6-2/h6-10H,5H2,1-4H3/b8-7-,9-6+,12-10+
InChIKeyIPYRKPMGFHCDEP-HKHDUWRKSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds4

About (Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine

(Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine (PubChem CID 89312021) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine.

Molecular Properties

Compound Name(Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine
PubChem CID89312021
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine
SMILESC/C=C/N=C/C(C)(C)/C=C\CC
InChIInChI=1S/C11H19N/c1-5-7-8-11(3,4)10-12-9-6-2/h6-10H,5H2,1-4H3/b8-7-,9-6+,12-10+
InChIKeyIPYRKPMGFHCDEP-HKHDUWRKSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine?
The IUPAC name of (Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine (CID 89312021) is (Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine.
What is the SMILES notation for (Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine?
The canonical SMILES for (Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine is C/C=C/N=C/C(C)(C)/C=C\CC.
What is the InChIKey of (Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine?
The InChIKey is IPYRKPMGFHCDEP-HKHDUWRKSA-N. The full InChI is InChI=1S/C11H19N/c1-5-7-8-11(3,4)10-12-9-6-2/h6-10H,5H2,1-4H3/b8-7-,9-6+,12-10+.
What are the key properties of (Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine?
(Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2-dimethyl-N-[(E)-prop-1-enyl]hex-3-en-1-imine is sourced from PubChem (CID 89312021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).