2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide

C11H23N3 — CID 63178163

IUPAC2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide
SMILESCC(C)/C(N)=N\CC1CCN(C)CC1
InChIInChI=1S/C11H23N3/c1-9(2)11(12)13-8-10-4-6-14(3)7-5-10/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyRUWHLGFVJIQCEN-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.34
Rot. Bonds3

About 2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide

2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide (PubChem CID 63178163) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide
PubChem CID63178163
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide
SMILESCC(C)/C(N)=N\CC1CCN(C)CC1
InChIInChI=1S/C11H23N3/c1-9(2)11(12)13-8-10-4-6-14(3)7-5-10/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyRUWHLGFVJIQCEN-UHFFFAOYSA-N
XLogP1.34
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
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

2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide
CID 130820205
N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide
CID 63173412
2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 55134240
2-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790
1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 110927538
4-[(aminodiazenyl)methyl]-1-methylpiperidine
CID 90208840
2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 90084967
1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 62482086
2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
CID 63175993
2-methyl-N'-(oxan-2-ylmethyl)propanimidamide
CID 63177019
N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide
CID 63175990
1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine
CID 104884151

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide?
The IUPAC name of 2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide (CID 63178163) is 2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide is CC(C)/C(N)=N\CC1CCN(C)CC1.
What is the InChIKey of 2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide?
The InChIKey is RUWHLGFVJIQCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-9(2)11(12)13-8-10-4-6-14(3)7-5-10/h9-10H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide?
2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide has a molecular weight of 197.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide is sourced from PubChem (CID 63178163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).