N'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide

C8H13N3 — CID 167009720

IUPACN'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide
SMILESC=C1CCCN=C1N/C=N/C
InChIInChI=1S/C8H13N3/c1-7-4-3-5-10-8(7)11-6-9-2/h6H,1,3-5H2,2H3,(H,9,10,11)
InChIKeyJKLNBCVRAYAPIE-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.98
Rot. Bonds1

About N'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide

N'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide (PubChem CID 167009720) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide
PubChem CID167009720
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide
SMILESC=C1CCCN=C1N/C=N/C
InChIInChI=1S/C8H13N3/c1-7-4-3-5-10-8(7)11-6-9-2/h6H,1,3-5H2,2H3,(H,9,10,11)
InChIKeyJKLNBCVRAYAPIE-UHFFFAOYSA-N
XLogP0.98
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Cyanamide, (3-((dimethylamino)methylene)-2-piperidinylidene)-
CID 3033764
3-Dimethylaminomethylene-2-cyanoiminopiperidine
CID 57249
(2-pentylimino-3,4-dihydro-1H-pyridin-5-yl)methanamine
CID 136651224
ethane;N-ethenyl-5-methylidene-3,4-dihydro-2H-pyridin-6-amine
CID 143586881
(5Z)-N-ethyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 153562310
[(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide
CID 21150867
2,6-Bis(prop-1-en-2-yl)-1,4,5,6-tetrahydropyrimidine
CID 22756052
N-ethenyl-5-methylidene-3,4-dihydro-2H-pyridin-6-amine
CID 143586882

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide?
The IUPAC name of N'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide (CID 167009720) is N'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide.
What is the SMILES notation for N'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide?
The canonical SMILES for N'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide is C=C1CCCN=C1N/C=N/C.
What is the InChIKey of N'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide?
The InChIKey is JKLNBCVRAYAPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-7-4-3-5-10-8(7)11-6-9-2/h6H,1,3-5H2,2H3,(H,9,10,11).
What are the key properties of N'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide?
N'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide has a molecular weight of 151.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(5-methylidene-3,4-dihydro-2H-pyridin-6-yl)methanimidamide is sourced from PubChem (CID 167009720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).