2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(pyridin-2-ylmethyl)guanidine

C19H24N4 — CID 110970271

IUPAC2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccccn1)NCC1(c2ccccc2C)CC1
InChIInChI=1S/C19H24N4/c1-15-7-3-4-9-17(15)19(10-11-19)14-23-18(20-2)22-13-16-8-5-6-12-21-16/h3-9,12H,10-11,13-14H2,1-2H3,(H2,20,22,23)
InChIKeyJHCOZEQYPWHKDS-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.79
Rot. Bonds5

About 2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(pyridin-2-ylmethyl)guanidine

2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(pyridin-2-ylmethyl)guanidine (PubChem CID 110970271) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
PubChem CID110970271
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccccn1)NCC1(c2ccccc2C)CC1
InChIInChI=1S/C19H24N4/c1-15-7-3-4-9-17(15)19(10-11-19)14-23-18(20-2)22-13-16-8-5-6-12-21-16/h3-9,12H,10-11,13-14H2,1-2H3,(H2,20,22,23)
InChIKeyJHCOZEQYPWHKDS-UHFFFAOYSA-N
XLogP2.79
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.79
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'}

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Related Compounds

2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970928
1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967683
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 111639806
1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 111638400
2-methyl-1-[(2-methylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970324
2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111852069
2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111951372
2-methyl-1-[(2-methylphenyl)methyl]-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]guanidine
CID 111360435
2-methyl-1-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111954601
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111534641
2-methyl-1-[2-methyl-2-(2-methylphenyl)propyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110968678
2-methyl-1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111493971

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(pyridin-2-ylmethyl)guanidine (CID 110970271) is 2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(pyridin-2-ylmethyl)guanidine is C/N=C(\NCc1ccccn1)NCC1(c2ccccc2C)CC1.
What is the InChIKey of 2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(pyridin-2-ylmethyl)guanidine?
The InChIKey is JHCOZEQYPWHKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-15-7-3-4-9-17(15)19(10-11-19)14-23-18(20-2)22-13-16-8-5-6-12-21-16/h3-9,12H,10-11,13-14H2,1-2H3,(H2,20,22,23).
What are the key properties of 2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(pyridin-2-ylmethyl)guanidine?
2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(pyridin-2-ylmethyl)guanidine has a molecular weight of 308.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 110970271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).