N',4-diethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide

C11H20BrN5 — CID 21330753

IUPACN',4-diethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide
SMILESBr.CC/N=C(\N)N1CCc2[nH]cnc2C1CC
InChIInChI=1S/C11H19N5.BrH/c1-3-9-10-8(14-7-15-10)5-6-16(9)11(12)13-4-2;/h7,9H,3-6H2,1-2H3,(H2,12,13)(H,14,15);1H
InChIKeyFSMSYOFJFYHMSZ-UHFFFAOYSA-N
MW302.22 g/mol
LogP1.63
Rot. Bonds2

About N',4-diethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide

N',4-diethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide (PubChem CID 21330753) has the molecular formula C11H20BrN5 and a molecular weight of 302.22 g/mol. Its IUPAC name is N',4-diethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide.

Molecular Properties

Compound NameN',4-diethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide
PubChem CID21330753
Molecular FormulaC11H20BrN5
Molecular Weight302.22 g/mol
Exact Mass301.09
IUPAC NameN',4-diethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide
SMILESBr.CC/N=C(\N)N1CCc2[nH]cnc2C1CC
InChIInChI=1S/C11H19N5.BrH/c1-3-9-10-8(14-7-15-10)5-6-16(9)11(12)13-4-2;/h7,9H,3-6H2,1-2H3,(H2,12,13)(H,14,15);1H
InChIKeyFSMSYOFJFYHMSZ-UHFFFAOYSA-N
XLogP1.63
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
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-cyano-2-methyl-3-[4-(5-methyl-1H-imidazol-4-yl)butyl]guanidine
CID 12769844
5H-Imidazo(4,5-c)pyridine-5-carbothioamide, 1,4,6,7-tetrahydro-1,4-diethyl-N-(1-methylethyl)-
CID 3054005
3',5',6',7'-Tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-c]pyridine]
CID 12397494
1-{3,5,6,7-Tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl}ethan-1-one
CID 12397504
4,5,6,7-tetrahydro-1H-1,3-benzodiazol-5-amine
CID 155924
1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CID 929096
3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
CID 16418004
3-methyl-3H,4H,5H,6H,7H-imidazo(4,5-c)pyridine dihydrochloride
CID 75537372
1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 86283435
1H-Imidazole-4-ethanamine, alpha,5-dimethyl-
CID 158290
Spinaceamine
CID 410112
4-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 588687

Frequently Asked Questions

What is the IUPAC name of N',4-diethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide?
The IUPAC name of N',4-diethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide (CID 21330753) is N',4-diethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide.
What is the SMILES notation for N',4-diethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide?
The canonical SMILES for N',4-diethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide is Br.CC/N=C(\N)N1CCc2[nH]cnc2C1CC.
What is the InChIKey of N',4-diethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide?
The InChIKey is FSMSYOFJFYHMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5.BrH/c1-3-9-10-8(14-7-15-10)5-6-16(9)11(12)13-4-2;/h7,9H,3-6H2,1-2H3,(H2,12,13)(H,14,15);1H.
What are the key properties of N',4-diethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide?
N',4-diethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide has a molecular weight of 302.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-diethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide;hydrobromide is sourced from PubChem (CID 21330753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).