N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide

C9H14N2 — CID 123441819

IUPACN'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
SMILESC=C(C=CC)C(=C)N/C=N/C
InChIInChI=1S/C9H14N2/c1-5-6-8(2)9(3)11-7-10-4/h5-7H,2-3H2,1,4H3,(H,10,11)
InChIKeyGSSVHYSYBNIOFR-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.88
Rot. Bonds4

About N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide

N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide (PubChem CID 123441819) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
PubChem CID123441819
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
SMILESC=C(C=CC)C(=C)N/C=N/C
InChIInChI=1S/C9H14N2/c1-5-6-8(2)9(3)11-7-10-4/h5-7H,2-3H2,1,4H3,(H,10,11)
InChIKeyGSSVHYSYBNIOFR-UHFFFAOYSA-N
XLogP1.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.88
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-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide?
The IUPAC name of N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide (CID 123441819) is N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide.
What is the SMILES notation for N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide?
The canonical SMILES for N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide is C=C(C=CC)C(=C)N/C=N/C.
What is the InChIKey of N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide?
The InChIKey is GSSVHYSYBNIOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-6-8(2)9(3)11-7-10-4/h5-7H,2-3H2,1,4H3,(H,10,11).
What are the key properties of N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide?
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide has a molecular weight of 150.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide is sourced from PubChem (CID 123441819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).