2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide

C9H19N3 — CID 130820205

IUPAC2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide
SMILESCC(C)/C(N)=N\CC1CN(C)C1
InChIInChI=1S/C9H19N3/c1-7(2)9(10)11-4-8-5-12(3)6-8/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyDJRPUBSLSMBVQO-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.56
Rot. Bonds3

About 2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide

2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide (PubChem CID 130820205) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide
PubChem CID130820205
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide
SMILESCC(C)/C(N)=N\CC1CN(C)C1
InChIInChI=1S/C9H19N3/c1-7(2)9(10)11-4-8-5-12(3)6-8/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyDJRPUBSLSMBVQO-UHFFFAOYSA-N
XLogP0.56
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.56
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-methylpiperidin-4-yl)methyl]propanimidamide
CID 63178163
2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 55134240
2-methyl-N'-(oxan-2-ylmethyl)propanimidamide
CID 63177019
1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 62482086
2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
CID 63175993
N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate
CID 172821400
N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide
CID 63175990
1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine
CID 104884151
4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine
CID 165399617
1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111065330
N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide
CID 63173412
1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111859870

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide?
The IUPAC name of 2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide (CID 130820205) is 2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide is CC(C)/C(N)=N\CC1CN(C)C1.
What is the InChIKey of 2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide?
The InChIKey is DJRPUBSLSMBVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(2)9(10)11-4-8-5-12(3)6-8/h7-8H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide?
2-methyl-N'-[(1-methylazetidin-3-yl)methyl]propanimidamide has a molecular weight of 169.27 g/mol, XLogP of 0.56, 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-methylazetidin-3-yl)methyl]propanimidamide is sourced from PubChem (CID 130820205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).