(Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine

C13H21N — CID 129256919

IUPAC(Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine
SMILESC=C(/C=C/C)/N=C(\C=C/C)C(C)(C)C
InChIInChI=1S/C13H21N/c1-7-9-11(3)14-12(10-8-2)13(4,5)6/h7-10H,3H2,1-2,4-6H3/b9-7+,10-8-,14-12-
InChIKeyQWROQDBAHJAJRJ-NIQVLNHVSA-N
MW191.32 g/mol
LogP4.14
Rot. Bonds3

About (Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine

(Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine (PubChem CID 129256919) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine
PubChem CID129256919
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine
SMILESC=C(/C=C/C)/N=C(\C=C/C)C(C)(C)C
InChIInChI=1S/C13H21N/c1-7-9-11(3)14-12(10-8-2)13(4,5)6/h7-10H,3H2,1-2,4-6H3/b9-7+,10-8-,14-12-
InChIKeyQWROQDBAHJAJRJ-NIQVLNHVSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine?
The IUPAC name of (Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine (CID 129256919) is (Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine.
What is the SMILES notation for (Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine?
The canonical SMILES for (Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine is C=C(/C=C/C)/N=C(\C=C/C)C(C)(C)C.
What is the InChIKey of (Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine?
The InChIKey is QWROQDBAHJAJRJ-NIQVLNHVSA-N. The full InChI is InChI=1S/C13H21N/c1-7-9-11(3)14-12(10-8-2)13(4,5)6/h7-10H,3H2,1-2,4-6H3/b9-7+,10-8-,14-12-.
What are the key properties of (Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine?
(Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine has a molecular weight of 191.32 g/mol, XLogP of 4.14, 3 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-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine is sourced from PubChem (CID 129256919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).