2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine

C16H28N4 — CID 111212533

IUPAC2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine
SMILESCCCCCCC(C)N/C(=N\C)NCc1ccccn1
InChIInChI=1S/C16H28N4/c1-4-5-6-7-10-14(2)20-16(17-3)19-13-15-11-8-9-12-18-15/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H2,17,19,20)
InChIKeyFMGBUQGMUWBUTB-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.11
Rot. Bonds8

About 2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine

2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine (PubChem CID 111212533) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine
PubChem CID111212533
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine
SMILESCCCCCCC(C)N/C(=N\C)NCc1ccccn1
InChIInChI=1S/C16H28N4/c1-4-5-6-7-10-14(2)20-16(17-3)19-13-15-11-8-9-12-18-15/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H2,17,19,20)
InChIKeyFMGBUQGMUWBUTB-UHFFFAOYSA-N
XLogP3.11
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110944608
N-(pyridin-2-ylmethyl)octan-2-amine
CID 43085262
1-benzyl-3-heptan-2-yl-2-methylguanidine;hydroiodide
CID 111195191
1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine
CID 111195830
1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide
CID 111212928
2-methyl-1-octan-2-yl-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111212335
1-(2-ethylhexyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969043
2-methyl-1-(6-methylheptan-2-yl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111173162
1-(furan-2-ylmethyl)-2-methyl-3-octan-2-ylguanidine
CID 111212393
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-heptan-2-yl-2-methylguanidine;hydroiodide
CID 111195457
1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 116510700
1-butan-2-yl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 75534590

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine (CID 111212533) is 2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine is CCCCCCC(C)N/C(=N\C)NCc1ccccn1.
What is the InChIKey of 2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine?
The InChIKey is FMGBUQGMUWBUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-5-6-7-10-14(2)20-16(17-3)19-13-15-11-8-9-12-18-15/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H2,17,19,20).
What are the key properties of 2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine?
2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine has a molecular weight of 276.43 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 111212533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).