N'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide

C10H18N2 — CID 134375977

IUPACN'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide
SMILESCC/C=C(C)/C=C(/C)N/C=N/C
InChIInChI=1S/C10H18N2/c1-5-6-9(2)7-10(3)12-8-11-4/h6-8H,5H2,1-4H3,(H,11,12)/b9-6+,10-7-
InChIKeyXDDRHMAZUFBHNI-FPXDHTHPSA-N
MW166.27 g/mol
LogP2.49
Rot. Bonds4

About N'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide

N'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide (PubChem CID 134375977) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide
PubChem CID134375977
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide
SMILESCC/C=C(C)/C=C(/C)N/C=N/C
InChIInChI=1S/C10H18N2/c1-5-6-9(2)7-10(3)12-8-11-4/h6-8H,5H2,1-4H3,(H,11,12)/b9-6+,10-7-
InChIKeyXDDRHMAZUFBHNI-FPXDHTHPSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide?
The IUPAC name of N'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide (CID 134375977) is N'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide is CC/C=C(C)/C=C(/C)N/C=N/C.
What is the InChIKey of N'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide?
The InChIKey is XDDRHMAZUFBHNI-FPXDHTHPSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-6-9(2)7-10(3)12-8-11-4/h6-8H,5H2,1-4H3,(H,11,12)/b9-6+,10-7-.
What are the key properties of N'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide?
N'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide is sourced from PubChem (CID 134375977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).