1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine

C15H27N5 — CID 109401113

IUPAC1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine
SMILESCCCCCN/C(=N\C)NCc1cccc(N(C)C)n1
InChIInChI=1S/C15H27N5/c1-5-6-7-11-17-15(16-2)18-12-13-9-8-10-14(19-13)20(3)4/h8-10H,5-7,11-12H2,1-4H3,(H2,16,17,18)
InChIKeyCXVMNDLOCJOTQS-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.00
Rot. Bonds7

About 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine (PubChem CID 109401113) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine
PubChem CID109401113
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine
SMILESCCCCCN/C(=N\C)NCc1cccc(N(C)C)n1
InChIInChI=1S/C15H27N5/c1-5-6-7-11-17-15(16-2)18-12-13-9-8-10-14(19-13)20(3)4/h8-10H,5-7,11-12H2,1-4H3,(H2,16,17,18)
InChIKeyCXVMNDLOCJOTQS-UHFFFAOYSA-N
XLogP2.00
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine
CID 109403995
1-hexyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
CID 111162173
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 109401497
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 109401421
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 109402653
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 109404730
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 109402723
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 84590629
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 109402030
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
CID 109403604
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 109403723
1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine
CID 109401245

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine?
The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine (CID 109401113) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine.
What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine?
The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine is CCCCCN/C(=N\C)NCc1cccc(N(C)C)n1.
What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine?
The InChIKey is CXVMNDLOCJOTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-6-7-11-17-15(16-2)18-12-13-9-8-10-14(19-13)20(3)4/h8-10H,5-7,11-12H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine?
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine has a molecular weight of 277.42 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine is sourced from PubChem (CID 109401113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).