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

C12H20N4 — CID 110944608

IUPAC1-butan-2-yl-2-methyl-3-(pyridin-2-ylmethyl)guanidine
SMILESCCC(C)N/C(=N\C)NCc1ccccn1
InChIInChI=1S/C12H20N4/c1-4-10(2)16-12(13-3)15-9-11-7-5-6-8-14-11/h5-8,10H,4,9H2,1-3H3,(H2,13,15,16)
InChIKeyDLIGRMYZWNXMAG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.55
Rot. Bonds4

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

1-butan-2-yl-2-methyl-3-(pyridin-2-ylmethyl)guanidine (PubChem CID 110944608) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-butan-2-yl-2-methyl-3-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-butan-2-yl-2-methyl-3-(pyridin-2-ylmethyl)guanidine
PubChem CID110944608
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-butan-2-yl-2-methyl-3-(pyridin-2-ylmethyl)guanidine
SMILESCCC(C)N/C(=N\C)NCc1ccccn1
InChIInChI=1S/C12H20N4/c1-4-10(2)16-12(13-3)15-9-11-7-5-6-8-14-11/h5-8,10H,4,9H2,1-3H3,(H2,13,15,16)
InChIKeyDLIGRMYZWNXMAG-UHFFFAOYSA-N
XLogP1.55
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.55
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-octan-2-yl-3-(pyridin-2-ylmethyl)guanidine
CID 111212533
1-butan-2-yl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 75534590
N-butan-2-yl-3-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]propanamide
CID 110970995
N-butan-2-yl-4-[[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 110968851
1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 116510700
1-(2-ethylhexyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969043
1-[2-[ethyl(propan-2-yl)amino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970160
1-butan-2-yl-3-[(2-ethoxyphenyl)methyl]-2-methylguanidine
CID 110946186
1-[3-[di(propan-2-yl)amino]propyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 111691212
1-butan-2-yl-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110944271
2-methyl-1-[(2-methylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970324
2-methyl-1-(6-methylheptan-2-yl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111173162

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-butan-2-yl-2-methyl-3-(pyridin-2-ylmethyl)guanidine (CID 110944608) is 1-butan-2-yl-2-methyl-3-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-butan-2-yl-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-butan-2-yl-2-methyl-3-(pyridin-2-ylmethyl)guanidine is CCC(C)N/C(=N\C)NCc1ccccn1.
What is the InChIKey of 1-butan-2-yl-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The InChIKey is DLIGRMYZWNXMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-10(2)16-12(13-3)15-9-11-7-5-6-8-14-11/h5-8,10H,4,9H2,1-3H3,(H2,13,15,16).
What are the key properties of 1-butan-2-yl-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
1-butan-2-yl-2-methyl-3-(pyridin-2-ylmethyl)guanidine has a molecular weight of 220.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-methyl-3-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 110944608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).