N-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine

C15H21N — CID 123567082

IUPACN-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine
SMILESC=CC=CC(=C)C(=C)C=C(N=C)C(C)(C)C
InChIInChI=1S/C15H21N/c1-8-9-10-12(2)13(3)11-14(16-7)15(4,5)6/h8-11H,1-3,7H2,4-6H3
InChIKeyWWUHMDJDQNRVNP-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.47
Rot. Bonds5

About N-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine

N-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine (PubChem CID 123567082) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine.

Molecular Properties

Compound NameN-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine
PubChem CID123567082
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine
SMILESC=CC=CC(=C)C(=C)C=C(N=C)C(C)(C)C
InChIInChI=1S/C15H21N/c1-8-9-10-12(2)13(3)11-14(16-7)15(4,5)6/h8-11H,1-3,7H2,4-6H3
InChIKeyWWUHMDJDQNRVNP-UHFFFAOYSA-N
XLogP4.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.47
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 N-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine?
The IUPAC name of N-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine (CID 123567082) is N-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine.
What is the SMILES notation for N-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine?
The canonical SMILES for N-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine is C=CC=CC(=C)C(=C)C=C(N=C)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine?
The InChIKey is WWUHMDJDQNRVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-8-9-10-12(2)13(3)11-14(16-7)15(4,5)6/h8-11H,1-3,7H2,4-6H3.
What are the key properties of N-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine?
N-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine has a molecular weight of 215.34 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-5,6-dimethylidenedeca-3,7,9-trien-3-yl)methanimine is sourced from PubChem (CID 123567082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).