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

C14H24N4 — CID 110977871

IUPAC2-methyl-1-(3-methylbutyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine
SMILESC/N=C(\NCCC(C)C)NCc1cccc(C)n1
InChIInChI=1S/C14H24N4/c1-11(2)8-9-16-14(15-4)17-10-13-7-5-6-12(3)18-13/h5-7,11H,8-10H2,1-4H3,(H2,15,16,17)
InChIKeyNZFKWMQKMSPXQF-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.10
Rot. Bonds5

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

2-methyl-1-(3-methylbutyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine (PubChem CID 110977871) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbutyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-(3-methylbutyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine
PubChem CID110977871
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-methyl-1-(3-methylbutyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine
SMILESC/N=C(\NCCC(C)C)NCc1cccc(C)n1
InChIInChI=1S/C14H24N4/c1-11(2)8-9-16-14(15-4)17-10-13-7-5-6-12(3)18-13/h5-7,11H,8-10H2,1-4H3,(H2,15,16,17)
InChIKeyNZFKWMQKMSPXQF-UHFFFAOYSA-N
XLogP2.10
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.10
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-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111248533
1-(2-ethylbutyl)-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111890651
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199905
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine
CID 110981017
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(3-phenoxypropyl)guanidine
CID 111418629
2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111621915
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111933684
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111169834
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111233083
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111356221
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111533283
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 110998555

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbutyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-(3-methylbutyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine (CID 110977871) is 2-methyl-1-(3-methylbutyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-(3-methylbutyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-(3-methylbutyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine is C/N=C(\NCCC(C)C)NCc1cccc(C)n1.
What is the InChIKey of 2-methyl-1-(3-methylbutyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine?
The InChIKey is NZFKWMQKMSPXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)8-9-16-14(15-4)17-10-13-7-5-6-12(3)18-13/h5-7,11H,8-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 2-methyl-1-(3-methylbutyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine?
2-methyl-1-(3-methylbutyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine has a molecular weight of 248.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylbutyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 110977871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).