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

C22H31N5 — CID 109406634

IUPAC1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine
SMILESC/N=C(/NCc1cccc(N(C)C)n1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C22H31N5/c1-23-21(24-16-19-12-9-13-20(26-19)27(2)3)25-17-22(14-7-8-15-22)18-10-5-4-6-11-18/h4-6,9-13H,7-8,14-17H2,1-3H3,(H2,23,24,25)
InChIKeyBSAVGBAMJARZQO-UHFFFAOYSA-N
MW365.53 g/mol
LogP3.32
Rot. Bonds6

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

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine (PubChem CID 109406634) has the molecular formula C22H31N5 and a molecular weight of 365.53 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine
PubChem CID109406634
Molecular FormulaC22H31N5
Molecular Weight365.53 g/mol
Exact Mass365.26
IUPAC Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine
SMILESC/N=C(/NCc1cccc(N(C)C)n1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C22H31N5/c1-23-21(24-16-19-12-9-13-20(26-19)27(2)3)25-17-22(14-7-8-15-22)18-10-5-4-6-11-18/h4-6,9-13H,7-8,14-17H2,1-3H3,(H2,23,24,25)
InChIKeyBSAVGBAMJARZQO-UHFFFAOYSA-N
XLogP3.32
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 109403715
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970928
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 109402723
1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 109400686
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111855612
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 109401421
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 109407268
2-methyl-1-[(1-phenylcyclopentyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111194258
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 109407175
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-[(1-phenylcyclobutyl)methyl]guanidine
CID 111854846
1-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111856949
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 109404730

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine?
The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine (CID 109406634) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine.
What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine?
The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine is C/N=C(/NCc1cccc(N(C)C)n1)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine?
The InChIKey is BSAVGBAMJARZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c1-23-21(24-16-19-12-9-13-20(26-19)27(2)3)25-17-22(14-7-8-15-22)18-10-5-4-6-11-18/h4-6,9-13H,7-8,14-17H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine?
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine has a molecular weight of 365.53 g/mol, XLogP of 3.32, 6 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-[(1-phenylcyclopentyl)methyl]guanidine is sourced from PubChem (CID 109406634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).