2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide

C11H23N3 — CID 63175993

IUPAC2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
SMILESCN1CCC(C/N=C(\N)C(C)(C)C)C1
InChIInChI=1S/C11H23N3/c1-11(2,3)10(12)13-7-9-5-6-14(4)8-9/h9H,5-8H2,1-4H3,(H2,12,13)
InChIKeyVTRBQFLJKMRGOC-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.34
Rot. Bonds2

About 2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide

2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide (PubChem CID 63175993) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
PubChem CID63175993
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
SMILESCN1CCC(C/N=C(\N)C(C)(C)C)C1
InChIInChI=1S/C11H23N3/c1-11(2,3)10(12)13-7-9-5-6-14(4)8-9/h9H,5-8H2,1-4H3,(H2,12,13)
InChIKeyVTRBQFLJKMRGOC-UHFFFAOYSA-N
XLogP1.34
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

N'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide
CID 63175926
2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 55134240
1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 62482086
N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide
CID 63175990
1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111065330
N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide
CID 63173412
1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine
CID 104884151
2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide
CID 63178163
(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 131972870
2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 90084967
2,2-dimethyl-N'-[(5-methyloxolan-2-yl)methyl]propanimidamide
CID 130944230
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 76920813

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide?
The IUPAC name of 2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide (CID 63175993) is 2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide.
What is the SMILES notation for 2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide?
The canonical SMILES for 2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide is CN1CCC(C/N=C(\N)C(C)(C)C)C1.
What is the InChIKey of 2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide?
The InChIKey is VTRBQFLJKMRGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-11(2,3)10(12)13-7-9-5-6-14(4)8-9/h9H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of 2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide?
2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide has a molecular weight of 197.33 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide is sourced from PubChem (CID 63175993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).