(2Z,4Z)-4,5-di(propan-2-yl)hepta-2,4,6-trien-1-imine

C13H21N — CID 163673616

IUPAC(2Z,4Z)-4,5-di(propan-2-yl)hepta-2,4,6-trien-1-imine
SMILES[H]/N=C/C=C\C(=C(/C=C)C(C)C)C(C)C
InChIInChI=1S/C13H21N/c1-6-12(10(2)3)13(11(4)5)8-7-9-14/h6-11,14H,1H2,2-5H3/b8-7-,13-12-,14-9+
InChIKeyJESFPXIZRDXPML-ZEBFBMFRSA-N
MW191.32 g/mol
LogP3.99
Rot. Bonds5

About (2Z,4Z)-4,5-di(propan-2-yl)hepta-2,4,6-trien-1-imine

(2Z,4Z)-4,5-di(propan-2-yl)hepta-2,4,6-trien-1-imine (PubChem CID 163673616) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (2Z,4Z)-4,5-di(propan-2-yl)hepta-2,4,6-trien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-4,5-di(propan-2-yl)hepta-2,4,6-trien-1-imine
PubChem CID163673616
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(2Z,4Z)-4,5-di(propan-2-yl)hepta-2,4,6-trien-1-imine
SMILES[H]/N=C/C=C\C(=C(/C=C)C(C)C)C(C)C
InChIInChI=1S/C13H21N/c1-6-12(10(2)3)13(11(4)5)8-7-9-14/h6-11,14H,1H2,2-5H3/b8-7-,13-12-,14-9+
InChIKeyJESFPXIZRDXPML-ZEBFBMFRSA-N
XLogP3.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
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 (2Z,4Z)-4,5-di(propan-2-yl)hepta-2,4,6-trien-1-imine?
The IUPAC name of (2Z,4Z)-4,5-di(propan-2-yl)hepta-2,4,6-trien-1-imine (CID 163673616) is (2Z,4Z)-4,5-di(propan-2-yl)hepta-2,4,6-trien-1-imine.
What is the SMILES notation for (2Z,4Z)-4,5-di(propan-2-yl)hepta-2,4,6-trien-1-imine?
The canonical SMILES for (2Z,4Z)-4,5-di(propan-2-yl)hepta-2,4,6-trien-1-imine is [H]/N=C/C=C\C(=C(/C=C)C(C)C)C(C)C.
What is the InChIKey of (2Z,4Z)-4,5-di(propan-2-yl)hepta-2,4,6-trien-1-imine?
The InChIKey is JESFPXIZRDXPML-ZEBFBMFRSA-N. The full InChI is InChI=1S/C13H21N/c1-6-12(10(2)3)13(11(4)5)8-7-9-14/h6-11,14H,1H2,2-5H3/b8-7-,13-12-,14-9+.
What are the key properties of (2Z,4Z)-4,5-di(propan-2-yl)hepta-2,4,6-trien-1-imine?
(2Z,4Z)-4,5-di(propan-2-yl)hepta-2,4,6-trien-1-imine has a molecular weight of 191.32 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4,5-di(propan-2-yl)hepta-2,4,6-trien-1-imine is sourced from PubChem (CID 163673616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).