2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine

C11H18N4 — CID 114700720

IUPAC2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine
SMILESCc1cnccc1C/N=C(\N)NC(C)C
InChIInChI=1S/C11H18N4/c1-8(2)15-11(12)14-7-10-4-5-13-6-9(10)3/h4-6,8H,7H2,1-3H3,(H3,12,14,15)
InChIKeyJESLKCUNHDZBEI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.20
Rot. Bonds3

About 2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine

2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine (PubChem CID 114700720) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine
PubChem CID114700720
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine
SMILESCc1cnccc1C/N=C(\N)NC(C)C
InChIInChI=1S/C11H18N4/c1-8(2)15-11(12)14-7-10-4-5-13-6-9(10)3/h4-6,8H,7H2,1-3H3,(H3,12,14,15)
InChIKeyJESLKCUNHDZBEI-UHFFFAOYSA-N
XLogP1.20
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.20
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

Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
Pinacidil
CID 55329
2-Amino-4-methylpyridine
CID 1533
N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine
CID 43345
Rivanicline
CID 5310967
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
(-)-Anatabine
CID 11388
2-(Benzylamino)pyridine
CID 23362
4-Pyridinemethanamine
CID 77317
3-Ethyl-4-methylpyridine
CID 68254

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine (CID 114700720) is 2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine is Cc1cnccc1C/N=C(\N)NC(C)C.
What is the InChIKey of 2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine?
The InChIKey is JESLKCUNHDZBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8(2)15-11(12)14-7-10-4-5-13-6-9(10)3/h4-6,8H,7H2,1-3H3,(H3,12,14,15).
What are the key properties of 2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine?
2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine has a molecular weight of 206.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 114700720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).