N'-methyl-N-[(3E)-undeca-3,10-dien-3-yl]methanimidamide

C13H24N2 — CID 143159959

IUPACN'-methyl-N-[(3E)-undeca-3,10-dien-3-yl]methanimidamide
SMILESC=CCCCCC/C=C(\CC)N/C=N/C
InChIInChI=1S/C13H24N2/c1-4-6-7-8-9-10-11-13(5-2)15-12-14-3/h4,11-12H,1,5-10H2,2-3H3,(H,14,15)/b13-11+
InChIKeyNAMOYASDNYVWBK-ACCUITESSA-N
MW208.35 g/mol
LogP3.66
Rot. Bonds9

About N'-methyl-N-[(3E)-undeca-3,10-dien-3-yl]methanimidamide

N'-methyl-N-[(3E)-undeca-3,10-dien-3-yl]methanimidamide (PubChem CID 143159959) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N'-methyl-N-[(3E)-undeca-3,10-dien-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(3E)-undeca-3,10-dien-3-yl]methanimidamide
PubChem CID143159959
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN'-methyl-N-[(3E)-undeca-3,10-dien-3-yl]methanimidamide
SMILESC=CCCCCC/C=C(\CC)N/C=N/C
InChIInChI=1S/C13H24N2/c1-4-6-7-8-9-10-11-13(5-2)15-12-14-3/h4,11-12H,1,5-10H2,2-3H3,(H,14,15)/b13-11+
InChIKeyNAMOYASDNYVWBK-ACCUITESSA-N
XLogP3.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide
CID 123627993
N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3-dien-2-yl]methanimidamide
CID 135208586
N'-butan-2-yl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide
CID 135243193
N'-methyl-N-[(Z)-pent-2-en-3-yl]methanimidamide
CID 137447718
N'-methyl-N-[(E)-pent-2-en-3-yl]methanimidamide
CID 138528162
N'-methyl-N-[(Z)-4-methylpent-2-en-3-yl]methanimidamide
CID 138546853
N'-methyl-N-[(Z)-5-methylhex-2-en-2-yl]methanimidamide
CID 142928332
N-(cyclopenten-1-yl)-N'-methylmethanimidamide
CID 144144796
N'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide
CID 146356832
N-[(3E)-hexa-3,5-dien-3-yl]-N'-methylmethanimidamide
CID 148226109
Ethane;6-ethyl-1,4-dihydropyrimidine
CID 153622463
N'-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]methanimidamide
CID 154967938

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(3E)-undeca-3,10-dien-3-yl]methanimidamide?
The IUPAC name of N'-methyl-N-[(3E)-undeca-3,10-dien-3-yl]methanimidamide (CID 143159959) is N'-methyl-N-[(3E)-undeca-3,10-dien-3-yl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(3E)-undeca-3,10-dien-3-yl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(3E)-undeca-3,10-dien-3-yl]methanimidamide is C=CCCCCC/C=C(\CC)N/C=N/C.
What is the InChIKey of N'-methyl-N-[(3E)-undeca-3,10-dien-3-yl]methanimidamide?
The InChIKey is NAMOYASDNYVWBK-ACCUITESSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-6-7-8-9-10-11-13(5-2)15-12-14-3/h4,11-12H,1,5-10H2,2-3H3,(H,14,15)/b13-11+.
What are the key properties of N'-methyl-N-[(3E)-undeca-3,10-dien-3-yl]methanimidamide?
N'-methyl-N-[(3E)-undeca-3,10-dien-3-yl]methanimidamide has a molecular weight of 208.35 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(3E)-undeca-3,10-dien-3-yl]methanimidamide is sourced from PubChem (CID 143159959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).