N,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine

C15H23N — CID 123423601

IUPACN,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine
SMILESC=CC=CC(=C)C(C)=C/C(=N\C)C(C)(C)C
InChIInChI=1S/C15H23N/c1-8-9-10-12(2)13(3)11-14(16-7)15(4,5)6/h8-11H,1-2H2,3-7H3/b10-9?,13-11?,16-14+
InChIKeyLEWJLNPWTPISSJ-SZZMKLNLSA-N
MW217.36 g/mol
LogP4.35
Rot. Bonds4

About N,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine

N,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine (PubChem CID 123423601) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine.

Molecular Properties

Compound NameN,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine
PubChem CID123423601
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine
SMILESC=CC=CC(=C)C(C)=C/C(=N\C)C(C)(C)C
InChIInChI=1S/C15H23N/c1-8-9-10-12(2)13(3)11-14(16-7)15(4,5)6/h8-11H,1-2H2,3-7H3/b10-9?,13-11?,16-14+
InChIKeyLEWJLNPWTPISSJ-SZZMKLNLSA-N
XLogP4.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.35
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine?
The IUPAC name of N,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine (CID 123423601) is N,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine.
What is the SMILES notation for N,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine?
The canonical SMILES for N,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine is C=CC=CC(=C)C(C)=C/C(=N\C)C(C)(C)C.
What is the InChIKey of N,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine?
The InChIKey is LEWJLNPWTPISSJ-SZZMKLNLSA-N. The full InChI is InChI=1S/C15H23N/c1-8-9-10-12(2)13(3)11-14(16-7)15(4,5)6/h8-11H,1-2H2,3-7H3/b10-9?,13-11?,16-14+.
What are the key properties of N,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine?
N,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine has a molecular weight of 217.36 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine is sourced from PubChem (CID 123423601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).