N'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide

C20H34N2 — CID 174043984

IUPACN'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide
SMILESC/N=C/NCC1=C(C)CC/C(C)=C\CC(C)C(C(C)C)=C1C
InChIInChI=1S/C20H34N2/c1-14(2)20-17(5)11-9-15(3)8-10-16(4)19(18(20)6)12-22-13-21-7/h9,13-14,17H,8,10-12H2,1-7H3,(H,21,22)/b15-9-,19-16?,20-18?
InChIKeyCYPZJZRTFBKPLF-IIZLUCCCSA-N
MW302.51 g/mol
LogP5.29
Rot. Bonds4

About N'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide

N'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide (PubChem CID 174043984) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is N'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide
PubChem CID174043984
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC NameN'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide
SMILESC/N=C/NCC1=C(C)CC/C(C)=C\CC(C)C(C(C)C)=C1C
InChIInChI=1S/C20H34N2/c1-14(2)20-17(5)11-9-15(3)8-10-16(4)19(18(20)6)12-22-13-21-7/h9,13-14,17H,8,10-12H2,1-7H3,(H,21,22)/b15-9-,19-16?,20-18?
InChIKeyCYPZJZRTFBKPLF-IIZLUCCCSA-N
XLogP5.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 55.29
H-Bond Donors ≤ 51
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'}

Analyze N'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide?
The IUPAC name of N'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide (CID 174043984) is N'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide?
The canonical SMILES for N'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide is C/N=C/NCC1=C(C)CC/C(C)=C\CC(C)C(C(C)C)=C1C.
What is the InChIKey of N'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide?
The InChIKey is CYPZJZRTFBKPLF-IIZLUCCCSA-N. The full InChI is InChI=1S/C20H34N2/c1-14(2)20-17(5)11-9-15(3)8-10-16(4)19(18(20)6)12-22-13-21-7/h9,13-14,17H,8,10-12H2,1-7H3,(H,21,22)/b15-9-,19-16?,20-18?.
What are the key properties of N'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide?
N'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide has a molecular weight of 302.51 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[[(5Z)-2,5,8,10-tetramethyl-9-propan-2-ylcyclodeca-1,5,9-trien-1-yl]methyl]methanimidamide is sourced from PubChem (CID 174043984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).