N'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide

C10H16N2 — CID 165120437

IUPACN'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide
SMILESC=C/C=C\C(N/C=N/C)=C(C)C
InChIInChI=1S/C10H16N2/c1-5-6-7-10(9(2)3)12-8-11-4/h5-8H,1H2,2-4H3,(H,11,12)/b7-6-
InChIKeyMXWGETLEGFZFSA-SREVYHEPSA-N
MW164.25 g/mol
LogP2.27
Rot. Bonds4

About N'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide

N'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide (PubChem CID 165120437) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide
PubChem CID165120437
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide
SMILESC=C/C=C\C(N/C=N/C)=C(C)C
InChIInChI=1S/C10H16N2/c1-5-6-7-10(9(2)3)12-8-11-4/h5-8H,1H2,2-4H3,(H,11,12)/b7-6-
InChIKeyMXWGETLEGFZFSA-SREVYHEPSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.27
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

N-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide
CID 130240102
N'-methyl-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]carbamimidoyl chloride
CID 88189430
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
N-[(2Z,4Z)-1-amino-2-methylhexa-2,4-dien-3-yl]-N'-methylmethanimidamide
CID 90454013
6-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine
CID 117633539
(5Z,7Z)-9-methylidene-1,4-dihydro-1,3-diazonine
CID 117691925
N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide
CID 123298095
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
CID 123513176
N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide
CID 123530565
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
N'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide
CID 129253260

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide?
The IUPAC name of N'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide (CID 165120437) is N'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide is C=C/C=C\C(N/C=N/C)=C(C)C.
What is the InChIKey of N'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide?
The InChIKey is MXWGETLEGFZFSA-SREVYHEPSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-6-7-10(9(2)3)12-8-11-4/h5-8H,1H2,2-4H3,(H,11,12)/b7-6-.
What are the key properties of N'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide?
N'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimidamide is sourced from PubChem (CID 165120437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).