N-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide

C13H24N2 — CID 123677229

IUPACN-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide
SMILESCC=C(C)C=CCC(C)(C)N/C(C)=N/C
InChIInChI=1S/C13H24N2/c1-7-11(2)9-8-10-13(4,5)15-12(3)14-6/h7-9H,10H2,1-6H3,(H,14,15)
InChIKeyRQPFIJRJKRMWNT-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.32
Rot. Bonds4

About N-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide

N-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide (PubChem CID 123677229) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide
PubChem CID123677229
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide
SMILESCC=C(C)C=CCC(C)(C)N/C(C)=N/C
InChIInChI=1S/C13H24N2/c1-7-11(2)9-8-10-13(4,5)15-12(3)14-6/h7-9H,10H2,1-6H3,(H,14,15)
InChIKeyRQPFIJRJKRMWNT-UHFFFAOYSA-N
XLogP3.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.32
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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Related Compounds

2-[4-(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine
CID 70920193
2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine
CID 122600421
(Z)-N'-methyl-N-[N-methyl-C-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]carbonimidoyl]but-2-enimidamide
CID 132094701
(Z)-N'-methyl-4-methylidene-N-prop-1-en-2-ylhex-2-enimidamide
CID 132125351
N-[(1E)-1-cyclopenta-1,3-dien-1-yl-2-methylbuta-1,3-dienyl]-N'-methylethanimidamide
CID 132127354
N-[(4Z,6E)-3,6-dimethylnona-4,6,8-trien-4-yl]-N'-ethenylethanimidamide
CID 134214393
N'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide
CID 139484101
2,6,7a-Trimethyl-1,3a-dihydrobenzimidazole
CID 143428044
N-butan-2-yl-5,7,7-trimethyl-1H-azepin-2-imine
CID 143585579
ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine
CID 144563061
ethane;(5E,6E)-5-ethylidene-2,4,4-trimethyl-6-prop-2-enylidene-1H-pyrimidine
CID 144594025
ethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine
CID 144633870

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide?
The IUPAC name of N-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide (CID 123677229) is N-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide.
What is the SMILES notation for N-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide?
The canonical SMILES for N-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide is CC=C(C)C=CCC(C)(C)N/C(C)=N/C.
What is the InChIKey of N-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide?
The InChIKey is RQPFIJRJKRMWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-7-11(2)9-8-10-13(4,5)15-12(3)14-6/h7-9H,10H2,1-6H3,(H,14,15).
What are the key properties of N-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide?
N-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide has a molecular weight of 208.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide is sourced from PubChem (CID 123677229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).