2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine

C19H32N4 — CID 109403656

IUPAC2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
SMILESC/N=C(/NCCc1ccncc1C)NCCC1CCCC(C)C1
InChIInChI=1S/C19H32N4/c1-15-5-4-6-17(13-15)7-11-22-19(20-3)23-12-9-18-8-10-21-14-16(18)2/h8,10,14-15,17H,4-7,9,11-13H2,1-3H3,(H2,20,22,23)
InChIKeyWQBCCNRBOIEZIR-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.31
Rot. Bonds6

About 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine

2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine (PubChem CID 109403656) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
PubChem CID109403656
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
SMILESC/N=C(/NCCc1ccncc1C)NCCC1CCCC(C)C1
InChIInChI=1S/C19H32N4/c1-15-5-4-6-17(13-15)7-11-22-19(20-3)23-12-9-18-8-10-21-14-16(18)2/h8,10,14-15,17H,4-7,9,11-13H2,1-3H3,(H2,20,22,23)
InChIKeyWQBCCNRBOIEZIR-UHFFFAOYSA-N
XLogP3.31
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.31
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-(3-cyclohexylpropyl)-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109407170
1-cyclohexyl-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109400690
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109403145
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109401609
1-(3-ethylsulfanylcyclopentyl)-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109406376
2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111558115
2-(3-cyclopentylpropyl)-1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109407164
1-(3-cyclopentyl-3-ethoxypropyl)-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109404775
1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine
CID 104882276
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109402744
3-amino-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 105070285
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109402565

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
The IUPAC name of 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine (CID 109403656) is 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
The canonical SMILES for 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine is C/N=C(/NCCc1ccncc1C)NCCC1CCCC(C)C1.
What is the InChIKey of 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
The InChIKey is WQBCCNRBOIEZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-15-5-4-6-17(13-15)7-11-22-19(20-3)23-12-9-18-8-10-21-14-16(18)2/h8,10,14-15,17H,4-7,9,11-13H2,1-3H3,(H2,20,22,23).
What are the key properties of 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine has a molecular weight of 316.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine is sourced from PubChem (CID 109403656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).