N'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide

C12H25N3 — CID 63175926

IUPACN'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide
SMILESCCN1CCC(C/N=C(\N)C(C)(C)C)C1
InChIInChI=1S/C12H25N3/c1-5-15-7-6-10(9-15)8-14-11(13)12(2,3)4/h10H,5-9H2,1-4H3,(H2,13,14)
InChIKeyYIXKICUMWDLYED-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.73
Rot. Bonds3

About N'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide

N'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide (PubChem CID 63175926) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide
PubChem CID63175926
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide
SMILESCCN1CCC(C/N=C(\N)C(C)(C)C)C1
InChIInChI=1S/C12H25N3/c1-5-15-7-6-10(9-15)8-14-11(13)12(2,3)4/h10H,5-9H2,1-4H3,(H2,13,14)
InChIKeyYIXKICUMWDLYED-UHFFFAOYSA-N
XLogP1.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.73
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

2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
CID 63175993
1-[(2S)-butan-2-yl]-2-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]guanidine
CID 95143617
1-tert-butyl-2-[(1-ethylpiperidin-3-yl)methyl]guanidine
CID 111084251
2-[(1-ethylpyrrolidin-3-yl)methyl]-1-(3-methylbutyl)guanidine
CID 111065504
2-[(1-ethylpyrrolidin-3-yl)methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111065519
1-tert-butyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111081762
4-(4-chlorophenyl)-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide
CID 111065570
1,3-diethylpyrrolidine;ethane
CID 145103245
1-butyl-3-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111151529
1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine
CID 110982009
1-butan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 51132120
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797123

Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide?
The IUPAC name of N'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide (CID 63175926) is N'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide is CCN1CCC(C/N=C(\N)C(C)(C)C)C1.
What is the InChIKey of N'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide?
The InChIKey is YIXKICUMWDLYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-15-7-6-10(9-15)8-14-11(13)12(2,3)4/h10H,5-9H2,1-4H3,(H2,13,14).
What are the key properties of N'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide?
N'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide has a molecular weight of 211.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide is sourced from PubChem (CID 63175926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).