N,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine

C14H21N — CID 167013322

IUPACN,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine
SMILESC=C1C(C)=C(C)C(C)=C(C(C)C)/C1=N/C
InChIInChI=1S/C14H21N/c1-8(2)13-11(5)9(3)10(4)12(6)14(13)15-7/h8H,6H2,1-5,7H3/b15-14+
InChIKeyZXEFYXDATUFQLV-CCEZHUSRSA-N
MW203.33 g/mol
LogP3.94
Rot. Bonds1

About N,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine

N,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine (PubChem CID 167013322) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine
PubChem CID167013322
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine
SMILESC=C1C(C)=C(C)C(C)=C(C(C)C)/C1=N/C
InChIInChI=1S/C14H21N/c1-8(2)13-11(5)9(3)10(4)12(6)14(13)15-7/h8H,6H2,1-5,7H3/b15-14+
InChIKeyZXEFYXDATUFQLV-CCEZHUSRSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine?
The IUPAC name of N,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine (CID 167013322) is N,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for N,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine is C=C1C(C)=C(C)C(C)=C(C(C)C)/C1=N/C.
What is the InChIKey of N,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine?
The InChIKey is ZXEFYXDATUFQLV-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H21N/c1-8(2)13-11(5)9(3)10(4)12(6)14(13)15-7/h8H,6H2,1-5,7H3/b15-14+.
What are the key properties of N,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine?
N,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine has a molecular weight of 203.33 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 167013322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).