2-N-methylcyclohexa-3,5-diene-1,2-diimine;(2Z,4Z)-4,7,7,9,9-pentamethyldeca-2,4-diene

C22H36N2 — CID 143643732

IUPAC2-N-methylcyclohexa-3,5-diene-1,2-diimine;(2Z,4Z)-4,7,7,9,9-pentamethyldeca-2,4-diene
SMILESC/C=C\C(C)=C/CC(C)(C)CC(C)(C)C.[H]/N=C1\C=CC=C\C1=N/C
InChIInChI=1S/C15H28.C7H8N2/c1-8-9-13(2)10-11-15(6,7)12-14(3,4)5;1-9-7-5-3-2-4-6(7)8/h8-10H,11-12H2,1-7H3;2-5,8H,1H3/b9-8-,13-10-;8-6+,9-7+
InChIKeyYJWJASGHVHQTBX-DOIJXXHQSA-N
MW328.54 g/mol
LogP6.56
Rot. Bonds4

About 2-N-methylcyclohexa-3,5-diene-1,2-diimine;(2Z,4Z)-4,7,7,9,9-pentamethyldeca-2,4-diene

2-N-methylcyclohexa-3,5-diene-1,2-diimine;(2Z,4Z)-4,7,7,9,9-pentamethyldeca-2,4-diene (PubChem CID 143643732) has the molecular formula C22H36N2 and a molecular weight of 328.54 g/mol. Its IUPAC name is 2-N-methylcyclohexa-3,5-diene-1,2-diimine;(2Z,4Z)-4,7,7,9,9-pentamethyldeca-2,4-diene.

Molecular Properties

Compound Name2-N-methylcyclohexa-3,5-diene-1,2-diimine;(2Z,4Z)-4,7,7,9,9-pentamethyldeca-2,4-diene
PubChem CID143643732
Molecular FormulaC22H36N2
Molecular Weight328.54 g/mol
Exact Mass328.29
IUPAC Name2-N-methylcyclohexa-3,5-diene-1,2-diimine;(2Z,4Z)-4,7,7,9,9-pentamethyldeca-2,4-diene
SMILESC/C=C\C(C)=C/CC(C)(C)CC(C)(C)C.[H]/N=C1\C=CC=C\C1=N/C
InChIInChI=1S/C15H28.C7H8N2/c1-8-9-13(2)10-11-15(6,7)12-14(3,4)5;1-9-7-5-3-2-4-6(7)8/h8-10H,11-12H2,1-7H3;2-5,8H,1H3/b9-8-,13-10-;8-6+,9-7+
InChIKeyYJWJASGHVHQTBX-DOIJXXHQSA-N
XLogP6.56
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'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 2-N-methylcyclohexa-3,5-diene-1,2-diimine;(2Z,4Z)-4,7,7,9,9-pentamethyldeca-2,4-diene?
The IUPAC name of 2-N-methylcyclohexa-3,5-diene-1,2-diimine;(2Z,4Z)-4,7,7,9,9-pentamethyldeca-2,4-diene (CID 143643732) is 2-N-methylcyclohexa-3,5-diene-1,2-diimine;(2Z,4Z)-4,7,7,9,9-pentamethyldeca-2,4-diene.
What is the SMILES notation for 2-N-methylcyclohexa-3,5-diene-1,2-diimine;(2Z,4Z)-4,7,7,9,9-pentamethyldeca-2,4-diene?
The canonical SMILES for 2-N-methylcyclohexa-3,5-diene-1,2-diimine;(2Z,4Z)-4,7,7,9,9-pentamethyldeca-2,4-diene is C/C=C\C(C)=C/CC(C)(C)CC(C)(C)C.[H]/N=C1\C=CC=C\C1=N/C.
What is the InChIKey of 2-N-methylcyclohexa-3,5-diene-1,2-diimine;(2Z,4Z)-4,7,7,9,9-pentamethyldeca-2,4-diene?
The InChIKey is YJWJASGHVHQTBX-DOIJXXHQSA-N. The full InChI is InChI=1S/C15H28.C7H8N2/c1-8-9-13(2)10-11-15(6,7)12-14(3,4)5;1-9-7-5-3-2-4-6(7)8/h8-10H,11-12H2,1-7H3;2-5,8H,1H3/b9-8-,13-10-;8-6+,9-7+.
What are the key properties of 2-N-methylcyclohexa-3,5-diene-1,2-diimine;(2Z,4Z)-4,7,7,9,9-pentamethyldeca-2,4-diene?
2-N-methylcyclohexa-3,5-diene-1,2-diimine;(2Z,4Z)-4,7,7,9,9-pentamethyldeca-2,4-diene has a molecular weight of 328.54 g/mol, XLogP of 6.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methylcyclohexa-3,5-diene-1,2-diimine;(2Z,4Z)-4,7,7,9,9-pentamethyldeca-2,4-diene is sourced from PubChem (CID 143643732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).