N,N-dimethyl-3,4-dihydropyridine-4-carboximidamide

C8H13N3 — CID 89339684

IUPACN,N-dimethyl-3,4-dihydropyridine-4-carboximidamide
SMILES[H]/N=C(/C1C=CN=CC1)N(C)C
InChIInChI=1S/C8H13N3/c1-11(2)8(9)7-3-5-10-6-4-7/h3,5-7,9H,4H2,1-2H3/b9-8-
InChIKeyMBGXKRVFYIZYPZ-HJWRWDBZSA-N
MW151.21 g/mol
LogP1.13
Rot. Bonds1

About N,N-dimethyl-3,4-dihydropyridine-4-carboximidamide

N,N-dimethyl-3,4-dihydropyridine-4-carboximidamide (PubChem CID 89339684) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N,N-dimethyl-3,4-dihydropyridine-4-carboximidamide.

Molecular Properties

Compound NameN,N-dimethyl-3,4-dihydropyridine-4-carboximidamide
PubChem CID89339684
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN,N-dimethyl-3,4-dihydropyridine-4-carboximidamide
SMILES[H]/N=C(/C1C=CN=CC1)N(C)C
InChIInChI=1S/C8H13N3/c1-11(2)8(9)7-3-5-10-6-4-7/h3,5-7,9H,4H2,1-2H3/b9-8-
InChIKeyMBGXKRVFYIZYPZ-HJWRWDBZSA-N
XLogP1.13
TPSA39.45 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 ≤ 51.13
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

1-(3,4-dihydropyridin-4-yl)-N,N-dimethylmethanamine
CID 123177997
1-(3,4-dihydropyridin-3-yl)-N,N-dimethylmethanamine
CID 144179468
1-Methyl-3a,4-dihydropyrrolo[2,3-c]pyridin-7-amine
CID 149473989
N-ethenyl-4-methyl-3,4-dihydropyridin-2-amine
CID 156242083
ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine
CID 163400517
1-(3-Methylbutanimidoyl)pyrimidin-2-imine
CID 170599585
1-(2-Methylbutanimidoyl)pyrimidin-2-imine
CID 170602629
3-(5,6-dimethylhepta-3,4-dienylidene)-1-methyl-1-[(E)-prop-1-enyl]guanidine
CID 174030385
3,4-Dihydropyridine-3-carboximidamide
CID 174741975
N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine
CID 163400518

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3,4-dihydropyridine-4-carboximidamide?
The IUPAC name of N,N-dimethyl-3,4-dihydropyridine-4-carboximidamide (CID 89339684) is N,N-dimethyl-3,4-dihydropyridine-4-carboximidamide.
What is the SMILES notation for N,N-dimethyl-3,4-dihydropyridine-4-carboximidamide?
The canonical SMILES for N,N-dimethyl-3,4-dihydropyridine-4-carboximidamide is [H]/N=C(/C1C=CN=CC1)N(C)C.
What is the InChIKey of N,N-dimethyl-3,4-dihydropyridine-4-carboximidamide?
The InChIKey is MBGXKRVFYIZYPZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H13N3/c1-11(2)8(9)7-3-5-10-6-4-7/h3,5-7,9H,4H2,1-2H3/b9-8-.
What are the key properties of N,N-dimethyl-3,4-dihydropyridine-4-carboximidamide?
N,N-dimethyl-3,4-dihydropyridine-4-carboximidamide has a molecular weight of 151.21 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3,4-dihydropyridine-4-carboximidamide is sourced from PubChem (CID 89339684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).