1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine

C10H16N4 — CID 79043510

IUPAC1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine
SMILESCc1ncccc1N/C(N)=N/C(C)C
InChIInChI=1S/C10H16N4/c1-7(2)13-10(11)14-9-5-4-6-12-8(9)3/h4-7H,1-3H3,(H3,11,13,14)
InChIKeyWEGKPZKOKDMNDZ-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.53
Rot. Bonds2

About 1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine

1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine (PubChem CID 79043510) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine
PubChem CID79043510
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine
SMILESCc1ncccc1N/C(N)=N/C(C)C
InChIInChI=1S/C10H16N4/c1-7(2)13-10(11)14-9-5-4-6-12-8(9)3/h4-7H,1-3H3,(H3,11,13,14)
InChIKeyWEGKPZKOKDMNDZ-UHFFFAOYSA-N
XLogP1.53
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine?
The IUPAC name of 1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine (CID 79043510) is 1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine?
The canonical SMILES for 1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine is Cc1ncccc1N/C(N)=N/C(C)C.
What is the InChIKey of 1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine?
The InChIKey is WEGKPZKOKDMNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-7(2)13-10(11)14-9-5-4-6-12-8(9)3/h4-7H,1-3H3,(H3,11,13,14).
What are the key properties of 1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine?
1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine has a molecular weight of 192.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine is sourced from PubChem (CID 79043510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).