N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide

C10H18N2 — CID 143159793

IUPACN'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide
SMILESC/C=C(/C)C/C=C\CN/C=N/C
InChIInChI=1S/C10H18N2/c1-4-10(2)7-5-6-8-12-9-11-3/h4-6,9H,7-8H2,1-3H3,(H,11,12)/b6-5-,10-4-
InChIKeyFVQXEMUBKMOSKD-ZQWSEWHOSA-N
MW166.27 g/mol
LogP2.15
Rot. Bonds5

About N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide

N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide (PubChem CID 143159793) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide
PubChem CID143159793
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide
SMILESC/C=C(/C)C/C=C\CN/C=N/C
InChIInChI=1S/C10H18N2/c1-4-10(2)7-5-6-8-12-9-11-3/h4-6,9H,7-8H2,1-3H3,(H,11,12)/b6-5-,10-4-
InChIKeyFVQXEMUBKMOSKD-ZQWSEWHOSA-N
XLogP2.15
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 ≤ 52.15
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

Nitensidine A
CID 10246147
1,2-Bis(3,7-dimethylocta-2,6-dienyl)guanidine
CID 162820217
N'-[(1E,4Z)-2-methyl-1-(methylamino)hexa-1,4-dien-3-yl]methanimidamide
CID 90452774
5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine
CID 91573404
N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide
CID 121451366
N'-ethyl-N-pent-3-en-2-ylmethanimidamide
CID 123174710
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
N'-methyl-N-pent-3-enylmethanimidamide
CID 123321967
N'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide
CID 123384239
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
N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide
CID 134350120

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide?
The IUPAC name of N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide (CID 143159793) is N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide is C/C=C(/C)C/C=C\CN/C=N/C.
What is the InChIKey of N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide?
The InChIKey is FVQXEMUBKMOSKD-ZQWSEWHOSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-10(2)7-5-6-8-12-9-11-3/h4-6,9H,7-8H2,1-3H3,(H,11,12)/b6-5-,10-4-.
What are the key properties of N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide?
N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.15, 5 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)-5-methylhepta-2,5-dienyl]methanimidamide is sourced from PubChem (CID 143159793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).