2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide

C11H17N3 — CID 63175746

IUPAC2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide
SMILESCc1cccc(C/N=C(/N)C(C)C)n1
InChIInChI=1S/C11H17N3/c1-8(2)11(12)13-7-10-6-4-5-9(3)14-10/h4-6,8H,7H2,1-3H3,(H2,12,13)
InChIKeyICNBAACLDXCMKZ-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.90
Rot. Bonds3

About 2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide

2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide (PubChem CID 63175746) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide
PubChem CID63175746
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide
SMILESCc1cccc(C/N=C(/N)C(C)C)n1
InChIInChI=1S/C11H17N3/c1-8(2)11(12)13-7-10-6-4-5-9(3)14-10/h4-6,8H,7H2,1-3H3,(H2,12,13)
InChIKeyICNBAACLDXCMKZ-UHFFFAOYSA-N
XLogP1.90
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.90
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

2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 62360074
N'-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboximidamide
CID 63175747
N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111062706
2-[(6-methyl-2-pyridinyl)methyl]-1-octylguanidine;hydroiodide
CID 111062653
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111683168
1-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111062712
(6-methyl-2-pyridinyl)methanesulfinic acid
CID 174710175
CID 131847838
CID 131847838
2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide
CID 130597810
2-amino-3-(6-methyl-2-pyridinyl)propan-1-ol;hydrochloride
CID 170891881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide?
The IUPAC name of 2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide (CID 63175746) is 2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide is Cc1cccc(C/N=C(/N)C(C)C)n1.
What is the InChIKey of 2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide?
The InChIKey is ICNBAACLDXCMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8(2)11(12)13-7-10-6-4-5-9(3)14-10/h4-6,8H,7H2,1-3H3,(H2,12,13).
What are the key properties of 2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide?
2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide has a molecular weight of 191.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propanimidamide is sourced from PubChem (CID 63175746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).