1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine

C14H24N4 — CID 119140036

IUPAC1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
SMILESC/N=C(\NCc1cccn1C)NC1CCCCC1
InChIInChI=1S/C14H24N4/c1-15-14(17-12-7-4-3-5-8-12)16-11-13-9-6-10-18(13)2/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H2,15,16,17)
InChIKeyNHDWHBGWMDYGLG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.02
Rot. Bonds3

About 1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine

1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine (PubChem CID 119140036) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
PubChem CID119140036
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
SMILESC/N=C(\NCc1cccn1C)NC1CCCCC1
InChIInChI=1S/C14H24N4/c1-15-14(17-12-7-4-3-5-8-12)16-11-13-9-6-10-18(13)2/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H2,15,16,17)
InChIKeyNHDWHBGWMDYGLG-UHFFFAOYSA-N
XLogP2.02
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.02
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

1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide
CID 119140035
2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine
CID 119155049
2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide
CID 119155256
1-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119155209
2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine
CID 119155051
2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 119155152
1-cyclohexyl-2-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119146702
1-tert-butyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119140084
1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 119145973
1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111771191
1-cyclopentyl-3-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111790975
1-(3-ethoxyspiro[3.4]octan-1-yl)-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119155597

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine (CID 119140036) is 1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine is C/N=C(\NCc1cccn1C)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine?
The InChIKey is NHDWHBGWMDYGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-15-14(17-12-7-4-3-5-8-12)16-11-13-9-6-10-18(13)2/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine?
1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine has a molecular weight of 248.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine is sourced from PubChem (CID 119140036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).