N-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide

C10H19N3 — CID 121420160

IUPACN-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide
SMILESCC/C(C)=C/C=C/C/N=C/N(C)N
InChIInChI=1S/C10H19N3/c1-4-10(2)7-5-6-8-12-9-13(3)11/h5-7,9H,4,8,11H2,1-3H3/b6-5+,10-7+,12-9+
InChIKeySJODJEORSOPTPY-QHPVFSOISA-N
MW181.28 g/mol
LogP1.73
Rot. Bonds5

About N-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide

N-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide (PubChem CID 121420160) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide.

Molecular Properties

Compound NameN-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide
PubChem CID121420160
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide
SMILESCC/C(C)=C/C=C/C/N=C/N(C)N
InChIInChI=1S/C10H19N3/c1-4-10(2)7-5-6-8-12-9-13(3)11/h5-7,9H,4,8,11H2,1-3H3/b6-5+,10-7+,12-9+
InChIKeySJODJEORSOPTPY-QHPVFSOISA-N
XLogP1.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide?
The IUPAC name of N-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide (CID 121420160) is N-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide.
What is the SMILES notation for N-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide?
The canonical SMILES for N-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide is CC/C(C)=C/C=C/C/N=C/N(C)N.
What is the InChIKey of N-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide?
The InChIKey is SJODJEORSOPTPY-QHPVFSOISA-N. The full InChI is InChI=1S/C10H19N3/c1-4-10(2)7-5-6-8-12-9-13(3)11/h5-7,9H,4,8,11H2,1-3H3/b6-5+,10-7+,12-9+.
What are the key properties of N-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide?
N-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide has a molecular weight of 181.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide is sourced from PubChem (CID 121420160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).