N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide

C10H14N2 — CID 123963482

IUPACN'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide
SMILESC=C/C=C\C(=C)C(=C)N/C=N/C
InChIInChI=1S/C10H14N2/c1-5-6-7-9(2)10(3)12-8-11-4/h5-8H,1-3H2,4H3,(H,11,12)/b7-6-
InChIKeyGKWAMDCKJJCOET-SREVYHEPSA-N
MW162.24 g/mol
LogP2.05
Rot. Bonds5

About N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide

N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide (PubChem CID 123963482) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide
PubChem CID123963482
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide
SMILESC=C/C=C\C(=C)C(=C)N/C=N/C
InChIInChI=1S/C10H14N2/c1-5-6-7-9(2)10(3)12-8-11-4/h5-8H,1-3H2,4H3,(H,11,12)/b7-6-
InChIKeyGKWAMDCKJJCOET-SREVYHEPSA-N
XLogP2.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.05
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

1H-Cyclohepta[d]pyrimidine
CID 45080488
4,7-dihydro-1H-cyclopenta[d]pyrimidine
CID 68168320
1,6-Dihydropyrido[2,3-g]quinazoline
CID 88708143
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
1,4,6,7-Tetrahydroquinazoline
CID 91013130
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine
CID 91311689
6-Cyclohepta-1,6-dien-1-yl-1,4-dihydropyrimidin-4-amine
CID 117792001
5-Methyl-1,5-dihydrocyclohepta[d]imidazole
CID 122463259
5,5-dimethyl-1H-cyclohepta[d]imidazole
CID 123139076
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
4,4-dimethyl-7-methylidene-1H-1,3-diazepine
CID 123387213

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide?
The IUPAC name of N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide (CID 123963482) is N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide is C=C/C=C\C(=C)C(=C)N/C=N/C.
What is the InChIKey of N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide?
The InChIKey is GKWAMDCKJJCOET-SREVYHEPSA-N. The full InChI is InChI=1S/C10H14N2/c1-5-6-7-9(2)10(3)12-8-11-4/h5-8H,1-3H2,4H3,(H,11,12)/b7-6-.
What are the key properties of N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide?
N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide has a molecular weight of 162.24 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide is sourced from PubChem (CID 123963482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).