N'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide

C10H18N2 — CID 146356832

IUPACN'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide
SMILESC/C=C/CC/C=C(\C)N/C=N/C
InChIInChI=1S/C10H18N2/c1-4-5-6-7-8-10(2)12-9-11-3/h4-5,8-9H,6-7H2,1-3H3,(H,11,12)/b5-4+,10-8+
InChIKeyZBAJDGRGTUNWNL-SYOZQWSFSA-N
MW166.27 g/mol
LogP2.49
Rot. Bonds5

About N'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide

N'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide (PubChem CID 146356832) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide
PubChem CID146356832
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide
SMILESC/C=C/CC/C=C(\C)N/C=N/C
InChIInChI=1S/C10H18N2/c1-4-5-6-7-8-10(2)12-9-11-3/h4-5,8-9H,6-7H2,1-3H3,(H,11,12)/b5-4+,10-8+
InChIKeyZBAJDGRGTUNWNL-SYOZQWSFSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.49
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-[(3Z,5E)-8,8-difluoronona-3,5-dien-5-yl]-N'-methylmethanimidamide
CID 144415055
N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide
CID 90809121
4,7-dimethyl-4,5-dihydro-1H-1,3-diazepine
CID 91513752
N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide
CID 121451366
N'-[(Z)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide
CID 123160255
N'-ethyl-N-pent-3-en-2-ylmethanimidamide
CID 123174710
8-Methyl-1,6-dihydro-1,3-diazocin-7-amine
CID 123202821
(4Z)-8-methyl-1,6-dihydro-1,3-diazocine
CID 123208459
N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide
CID 123221162
N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide
CID 123627993
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-methyl-1,4-dihydropyrimidine
CID 124199139

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide?
The IUPAC name of N'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide (CID 146356832) is N'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide is C/C=C/CC/C=C(\C)N/C=N/C.
What is the InChIKey of N'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide?
The InChIKey is ZBAJDGRGTUNWNL-SYOZQWSFSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-5-6-7-8-10(2)12-9-11-3/h4-5,8-9H,6-7H2,1-3H3,(H,11,12)/b5-4+,10-8+.
What are the key properties of N'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide?
N'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(2E,6E)-octa-2,6-dien-2-yl]methanimidamide is sourced from PubChem (CID 146356832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).