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

C13H20N4 — CID 110031793

IUPAC1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
SMILESCc1cnccc1CC/N=C(\N)N(C)C1CC1
InChIInChI=1S/C13H20N4/c1-10-9-15-7-5-11(10)6-8-16-13(14)17(2)12-3-4-12/h5,7,9,12H,3-4,6,8H2,1-2H3,(H2,14,16)
InChIKeyKUMSZMCMSSAYQJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.34
Rot. Bonds4

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

1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine (PubChem CID 110031793) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
PubChem CID110031793
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
SMILESCc1cnccc1CC/N=C(\N)N(C)C1CC1
InChIInChI=1S/C13H20N4/c1-10-9-15-7-5-11(10)6-8-16-13(14)17(2)12-3-4-12/h5,7,9,12H,3-4,6,8H2,1-2H3,(H2,14,16)
InChIKeyKUMSZMCMSSAYQJ-UHFFFAOYSA-N
XLogP1.34
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
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-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine
CID 110030115
1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
CID 110029384
1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 110030550
1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide
CID 110031720
1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 110029535
1-cyclopropyl-1-methyl-2-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]guanidine;hydroiodide
CID 110030845
1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110030768
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine
CID 110029580
1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine
CID 114700716
N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109401616
1-cyclopropyl-2-[3-(2,4-dichlorophenyl)propyl]-1-methylguanidine
CID 110030987
1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096467

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine (CID 110031793) is 1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine is Cc1cnccc1CC/N=C(\N)N(C)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
The InChIKey is KUMSZMCMSSAYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-9-15-7-5-11(10)6-8-16-13(14)17(2)12-3-4-12/h5,7,9,12H,3-4,6,8H2,1-2H3,(H2,14,16).
What are the key properties of 1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine has a molecular weight of 232.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine is sourced from PubChem (CID 110031793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).