1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine

C11H16N4 — CID 110029384

IUPAC1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
SMILESCN(/C(N)=N/Cc1cccnc1)C1CC1
InChIInChI=1S/C11H16N4/c1-15(10-4-5-10)11(12)14-8-9-3-2-6-13-7-9/h2-3,6-7,10H,4-5,8H2,1H3,(H2,12,14)
InChIKeyGRQMFHKPGJTMOG-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.99
Rot. Bonds3

About 1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine

1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine (PubChem CID 110029384) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
PubChem CID110029384
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
SMILESCN(/C(N)=N/Cc1cccnc1)C1CC1
InChIInChI=1S/C11H16N4/c1-15(10-4-5-10)11(12)14-8-9-3-2-6-13-7-9/h2-3,6-7,10H,4-5,8H2,1H3,(H2,12,14)
InChIKeyGRQMFHKPGJTMOG-UHFFFAOYSA-N
XLogP0.99
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.99
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

1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride
CID 140599394
1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
CID 110029396
N'-(pyridin-3-ylmethyl)propanimidamide
CID 63178456
1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide
CID 110029984
1-cyclopropyl-1-methyl-2-[2-(pyridin-3-ylsulfonylamino)ethyl]guanidine;hydroiodide
CID 110031720
1-cyclopropyl-1-methyl-2-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110029979
2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide
CID 110031073
1-cyclopropyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylguanidine;hydroiodide
CID 110030789
1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 110031793
1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096467
1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine
CID 110031795
N-(4-hydroxycyclohexyl)-N-methyl-2-pyridin-3-ylacetamide
CID 115277422

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine (CID 110029384) is 1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine is CN(/C(N)=N/Cc1cccnc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine?
The InChIKey is GRQMFHKPGJTMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-15(10-4-5-10)11(12)14-8-9-3-2-6-13-7-9/h2-3,6-7,10H,4-5,8H2,1H3,(H2,12,14).
What are the key properties of 1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine?
1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine has a molecular weight of 204.28 g/mol, XLogP of 0.99, 3 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-(pyridin-3-ylmethyl)guanidine is sourced from PubChem (CID 110029384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).