2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine

C9H18N4 — CID 131209561

IUPAC2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine
SMILESC/N=C(\N)NCC1=CCN(C)CC1
InChIInChI=1S/C9H18N4/c1-11-9(10)12-7-8-3-5-13(2)6-4-8/h3H,4-7H2,1-2H3,(H3,10,11,12)
InChIKeyJWBOBJBJGSLMKA-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.22
Rot. Bonds2

About 2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine

2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine (PubChem CID 131209561) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine
PubChem CID131209561
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine
SMILESC/N=C(\N)NCC1=CCN(C)CC1
InChIInChI=1S/C9H18N4/c1-11-9(10)12-7-8-3-5-13(2)6-4-8/h3H,4-7H2,1-2H3,(H3,10,11,12)
InChIKeyJWBOBJBJGSLMKA-UHFFFAOYSA-N
XLogP-0.22
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.22
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(6-Aminohexyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661450
1-(5-Aminopentyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661483
3-[2-(Dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium
CID 59878518
3-[2-(Dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide
CID 59878519
N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321248
N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321569
N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321570
N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 123313033
6-N-(2-ethylpenta-2,4-dienyl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 123354238
N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 123384054
1,1,2-Trimethyl-3-(3-methylpent-3-en-2-yl)guanidine
CID 123410965
N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 123587776

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine (CID 131209561) is 2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine is C/N=C(\N)NCC1=CCN(C)CC1.
What is the InChIKey of 2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine?
The InChIKey is JWBOBJBJGSLMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-11-9(10)12-7-8-3-5-13(2)6-4-8/h3H,4-7H2,1-2H3,(H3,10,11,12).
What are the key properties of 2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine?
2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine has a molecular weight of 182.27 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine is sourced from PubChem (CID 131209561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).