N-(2,4,6-trimethyl-3,5-dimethylidenecyclohexen-1-yl)propan-2-imine

C14H21N — CID 143231905

IUPACN-(2,4,6-trimethyl-3,5-dimethylidenecyclohexen-1-yl)propan-2-imine
SMILESC=C1C(C)=C(N=C(C)C)C(C)C(=C)C1C
InChIInChI=1S/C14H21N/c1-8(2)15-14-12(6)10(4)9(3)11(5)13(14)7/h9,12H,4-5H2,1-3,6-7H3
InChIKeyMYEBIUNIPCMEHX-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.14
Rot. Bonds1

About N-(2,4,6-trimethyl-3,5-dimethylidenecyclohexen-1-yl)propan-2-imine

N-(2,4,6-trimethyl-3,5-dimethylidenecyclohexen-1-yl)propan-2-imine (PubChem CID 143231905) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-(2,4,6-trimethyl-3,5-dimethylidenecyclohexen-1-yl)propan-2-imine.

Molecular Properties

Compound NameN-(2,4,6-trimethyl-3,5-dimethylidenecyclohexen-1-yl)propan-2-imine
PubChem CID143231905
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-(2,4,6-trimethyl-3,5-dimethylidenecyclohexen-1-yl)propan-2-imine
SMILESC=C1C(C)=C(N=C(C)C)C(C)C(=C)C1C
InChIInChI=1S/C14H21N/c1-8(2)15-14-12(6)10(4)9(3)11(5)13(14)7/h9,12H,4-5H2,1-3,6-7H3
InChIKeyMYEBIUNIPCMEHX-UHFFFAOYSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trimethyl-3,5-dimethylidenecyclohexen-1-yl)propan-2-imine?
The IUPAC name of N-(2,4,6-trimethyl-3,5-dimethylidenecyclohexen-1-yl)propan-2-imine (CID 143231905) is N-(2,4,6-trimethyl-3,5-dimethylidenecyclohexen-1-yl)propan-2-imine.
What is the SMILES notation for N-(2,4,6-trimethyl-3,5-dimethylidenecyclohexen-1-yl)propan-2-imine?
The canonical SMILES for N-(2,4,6-trimethyl-3,5-dimethylidenecyclohexen-1-yl)propan-2-imine is C=C1C(C)=C(N=C(C)C)C(C)C(=C)C1C.
What is the InChIKey of N-(2,4,6-trimethyl-3,5-dimethylidenecyclohexen-1-yl)propan-2-imine?
The InChIKey is MYEBIUNIPCMEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-8(2)15-14-12(6)10(4)9(3)11(5)13(14)7/h9,12H,4-5H2,1-3,6-7H3.
What are the key properties of N-(2,4,6-trimethyl-3,5-dimethylidenecyclohexen-1-yl)propan-2-imine?
N-(2,4,6-trimethyl-3,5-dimethylidenecyclohexen-1-yl)propan-2-imine has a molecular weight of 203.33 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethyl-3,5-dimethylidenecyclohexen-1-yl)propan-2-imine is sourced from PubChem (CID 143231905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).