N'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide

C14H20N2 — CID 166933533

IUPACN'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C(=C)C1=C(C(C)C)C(C)C=C1C
InChIInChI=1S/C14H20N2/c1-9(2)13-10(3)7-11(4)14(13)12(5)16-8-15-6/h7-10H,5-6H2,1-4H3/b16-8+
InChIKeyGSMAFBHHJPTGOP-LZYBPNLTSA-N
MW216.33 g/mol
LogP3.78
Rot. Bonds4

About N'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide

N'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide (PubChem CID 166933533) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide
PubChem CID166933533
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C(=C)C1=C(C(C)C)C(C)C=C1C
InChIInChI=1S/C14H20N2/c1-9(2)13-10(3)7-11(4)14(13)12(5)16-8-15-6/h7-10H,5-6H2,1-4H3/b16-8+
InChIKeyGSMAFBHHJPTGOP-LZYBPNLTSA-N
XLogP3.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.78
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide (CID 166933533) is N'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide is C=N/C=N/C(=C)C1=C(C(C)C)C(C)C=C1C.
What is the InChIKey of N'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide?
The InChIKey is GSMAFBHHJPTGOP-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H20N2/c1-9(2)13-10(3)7-11(4)14(13)12(5)16-8-15-6/h7-10H,5-6H2,1-4H3/b16-8+.
What are the key properties of N'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide?
N'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide has a molecular weight of 216.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide is sourced from PubChem (CID 166933533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).