1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine

C17H24N6 — CID 109401497

IUPAC1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1ccccn1)NCc1cccc(N(C)C)n1
InChIInChI=1S/C17H24N6/c1-18-17(20-12-10-14-7-4-5-11-19-14)21-13-15-8-6-9-16(22-15)23(2)3/h4-9,11H,10,12-13H2,1-3H3,(H2,18,20,21)
InChIKeyVBKMRIUATLKTHF-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.45
Rot. Bonds6

About 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 109401497) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID109401497
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1ccccn1)NCc1cccc(N(C)C)n1
InChIInChI=1S/C17H24N6/c1-18-17(20-12-10-14-7-4-5-11-19-14)21-13-15-8-6-9-16(22-15)23(2)3/h4-9,11H,10,12-13H2,1-3H3,(H2,18,20,21)
InChIKeyVBKMRIUATLKTHF-UHFFFAOYSA-N
XLogP1.45
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111964356
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 109402653
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-pentylguanidine
CID 109401113
1-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111194716
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 84590629
2-methyl-1-(naphthalen-1-ylmethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111192120
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111793206
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111191380
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 109402723
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine
CID 109403995
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 109401421
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 109402030

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine (CID 109401497) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine is C/N=C(\NCCc1ccccn1)NCc1cccc(N(C)C)n1.
What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is VBKMRIUATLKTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-18-17(20-12-10-14-7-4-5-11-19-14)21-13-15-8-6-9-16(22-15)23(2)3/h4-9,11H,10,12-13H2,1-3H3,(H2,18,20,21).
What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 312.42 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 109401497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).