1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine

C12H20N4 — CID 111802438

IUPAC1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine
SMILESCc1cccnc1CN=C(N(C)C)N(C)C
InChIInChI=1S/C12H20N4/c1-10-7-6-8-13-11(10)9-14-12(15(2)3)16(4)5/h6-8H,9H2,1-5H3
InChIKeyRDDAMWINUOUWOC-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.37
Rot. Bonds2

About 1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine

1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine (PubChem CID 111802438) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine
PubChem CID111802438
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine
SMILESCc1cccnc1CN=C(N(C)C)N(C)C
InChIInChI=1S/C12H20N4/c1-10-7-6-8-13-11(10)9-14-12(15(2)3)16(4)5/h6-8H,9H2,1-5H3
InChIKeyRDDAMWINUOUWOC-UHFFFAOYSA-N
XLogP1.37
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.37
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine (CID 111802438) is 1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine is Cc1cccnc1CN=C(N(C)C)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine?
The InChIKey is RDDAMWINUOUWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-7-6-8-13-11(10)9-14-12(15(2)3)16(4)5/h6-8H,9H2,1-5H3.
What are the key properties of 1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine?
1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine has a molecular weight of 220.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111802438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).