N,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide

C18H32N2 — CID 10423605

IUPACN,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C/N=C/N(C)C
InChIInChI=1S/C18H32N2/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-19-15-20(5)6/h9,11,13,15H,7-8,10,12,14H2,1-6H3/b17-11+,18-13+,19-15+
InChIKeyFDMIBNLBTDFDLO-OZFNKYQOSA-N
MW276.47 g/mol
LogP5.00
Rot. Bonds9

About N,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide

N,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide (PubChem CID 10423605) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide
PubChem CID10423605
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C/N=C/N(C)C
InChIInChI=1S/C18H32N2/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-19-15-20(5)6/h9,11,13,15H,7-8,10,12,14H2,1-6H3/b17-11+,18-13+,19-15+
InChIKeyFDMIBNLBTDFDLO-OZFNKYQOSA-N
XLogP5.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide (CID 10423605) is N,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/C/N=C/N(C)C.
What is the InChIKey of N,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide?
The InChIKey is FDMIBNLBTDFDLO-OZFNKYQOSA-N. The full InChI is InChI=1S/C18H32N2/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-19-15-20(5)6/h9,11,13,15H,7-8,10,12,14H2,1-6H3/b17-11+,18-13+,19-15+.
What are the key properties of N,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide?
N,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide has a molecular weight of 276.47 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide is sourced from PubChem (CID 10423605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).