N-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide

C13H21N3 — CID 123952851

IUPACN-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide
SMILES[H]/N=C(\C)N(C)C(=C)/C(C=CC(=C)CC)=N/C
InChIInChI=1S/C13H21N3/c1-7-10(2)8-9-13(15-5)11(3)16(6)12(4)14/h8-9,14H,2-3,7H2,1,4-6H3/b9-8?,14-12+,15-13+
InChIKeyRMEFZXHOTDTGJG-ROHRVJQWSA-N
MW219.33 g/mol
LogP3.02
Rot. Bonds5

About N-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide

N-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide (PubChem CID 123952851) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide.

Molecular Properties

Compound NameN-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide
PubChem CID123952851
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide
SMILES[H]/N=C(\C)N(C)C(=C)/C(C=CC(=C)CC)=N/C
InChIInChI=1S/C13H21N3/c1-7-10(2)8-9-13(15-5)11(3)16(6)12(4)14/h8-9,14H,2-3,7H2,1,4-6H3/b9-8?,14-12+,15-13+
InChIKeyRMEFZXHOTDTGJG-ROHRVJQWSA-N
XLogP3.02
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

(Z)-hept-3-ene-2,5-diimine
CID 143456495
(Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 169163898
(Z)-5-methylidenehept-3-en-2-one
CID 123321874
2-bromo-5-methylidenehepta-1,3-diene
CID 123950056
(2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol
CID 142113261
(3Z)-N,N-diethyl-5-methylidenehepta-1,3-dien-2-amine
CID 142937124
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
(Z,3Z)-3-butan-2-ylidene-N-methyl-6-methylideneoct-4-en-1-imine
CID 134478047
(Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine
CID 145480541
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
N-(2-methylidenebutylidene)methanimidamide
CID 143879593

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide?
The IUPAC name of N-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide (CID 123952851) is N-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide.
What is the SMILES notation for N-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide?
The canonical SMILES for N-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide is [H]/N=C(\C)N(C)C(=C)/C(C=CC(=C)CC)=N/C.
What is the InChIKey of N-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide?
The InChIKey is RMEFZXHOTDTGJG-ROHRVJQWSA-N. The full InChI is InChI=1S/C13H21N3/c1-7-10(2)8-9-13(15-5)11(3)16(6)12(4)14/h8-9,14H,2-3,7H2,1,4-6H3/b9-8?,14-12+,15-13+.
What are the key properties of N-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide?
N-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide has a molecular weight of 219.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide is sourced from PubChem (CID 123952851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).