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

C9H18N4 — CID 15102

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IUPAC2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine
SMILESCC1=CCN(CCN=C(N)N)CC1
InChIInChI=1S/C9H18N4/c1-8-2-5-13(6-3-8)7-4-12-9(10)11/h2H,3-7H2,1H3,(H4,10,11,12)
InChIKeyWQVAYGCXSJMPRT-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.09
Rot. Bonds3

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

2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine (PubChem CID 15102) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine
PubChem CID15102
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine
SMILESCC1=CCN(CCN=C(N)N)CC1
InChIInChI=1S/C9H18N4/c1-8-2-5-13(6-3-8)7-4-12-9(10)11/h2H,3-7H2,1H3,(H4,10,11,12)
InChIKeyWQVAYGCXSJMPRT-UHFFFAOYSA-N
XLogP-0.09
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.09
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

N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 104694198
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]guanidine;hydroiodide
CID 110914892
2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine
CID 4686823
[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine
CID 114410888
1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol
CID 114460118
4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
CID 82364120
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine
CID 114410885
3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine
CID 114410803
4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine
CID 114410768
1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
CID 114462451
1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-diazepane
CID 114410727
N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 114413134

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine (CID 15102) is 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine is CC1=CCN(CCN=C(N)N)CC1.
What is the InChIKey of 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine?
The InChIKey is WQVAYGCXSJMPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-8-2-5-13(6-3-8)7-4-12-9(10)11/h2H,3-7H2,1H3,(H4,10,11,12).
What are the key properties of 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine?
2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine has a molecular weight of 182.27 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine is sourced from PubChem (CID 15102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).