N'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide

C12H20N2 — CID 139484101

IUPACN'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide
SMILESC=C(/C=C\C)/C(C)=C(/C)N/C(C)=N/C
InChIInChI=1S/C12H20N2/c1-7-8-9(2)10(3)11(4)14-12(5)13-6/h7-8H,2H2,1,3-6H3,(H,13,14)/b8-7-,11-10-
InChIKeyONASMIJFQNCIQP-NQLNTKRDSA-N
MW192.31 g/mol
LogP3.05
Rot. Bonds3

About N'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide

N'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide (PubChem CID 139484101) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide
PubChem CID139484101
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide
SMILESC=C(/C=C\C)/C(C)=C(/C)N/C(C)=N/C
InChIInChI=1S/C12H20N2/c1-7-8-9(2)10(3)11(4)14-12(5)13-6/h7-8H,2H2,1,3-6H3,(H,13,14)/b8-7-,11-10-
InChIKeyONASMIJFQNCIQP-NQLNTKRDSA-N
XLogP3.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.05
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide?
The IUPAC name of N'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide (CID 139484101) is N'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide is C=C(/C=C\C)/C(C)=C(/C)N/C(C)=N/C.
What is the InChIKey of N'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide?
The InChIKey is ONASMIJFQNCIQP-NQLNTKRDSA-N. The full InChI is InChI=1S/C12H20N2/c1-7-8-9(2)10(3)11(4)14-12(5)13-6/h7-8H,2H2,1,3-6H3,(H,13,14)/b8-7-,11-10-.
What are the key properties of N'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide?
N'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide has a molecular weight of 192.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide is sourced from PubChem (CID 139484101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).