N'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide

C18H31N5 — CID 109452735

IUPACN'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccc(N(C)C)n1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C18H31N5/c1-8-19-16(23-13-17(2,3)18(23,4)5)20-12-14-10-9-11-15(21-14)22(6)7/h9-11H,8,12-13H2,1-7H3,(H,19,20)
InChIKeyNFRGWMRSJRBPDR-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.73
Rot. Bonds4

About N'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide

N'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide (PubChem CID 109452735) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is N'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
PubChem CID109452735
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC NameN'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccc(N(C)C)n1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C18H31N5/c1-8-19-16(23-13-17(2,3)18(23,4)5)20-12-14-10-9-11-15(21-14)22(6)7/h9-11H,8,12-13H2,1-7H3,(H,19,20)
InChIKeyNFRGWMRSJRBPDR-UHFFFAOYSA-N
XLogP2.73
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine
CID 86780962
N-ethyl-2,2,3,3-tetramethyl-N'-(thiophen-2-ylmethyl)azetidine-1-carboximidamide
CID 109453208
N'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 109406118
N-ethyl-2,2,3,3-tetramethyl-N'-[(3-nitrophenyl)methyl]azetidine-1-carboximidamide
CID 109452391
N-ethyl-2,2,3,3-tetramethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109452008
1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine
CID 109401245
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109453750
N'-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109452790
N'-[(1-benzylimidazol-2-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109453102
N-ethyl-2,2,3,3-tetramethyl-N'-(thiophen-3-ylmethyl)azetidine-1-carboximidamide;hydroiodide
CID 109453529
1-butan-2-yl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine
CID 109400599
2-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 109452068

Frequently Asked Questions

What is the IUPAC name of N'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The IUPAC name of N'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide (CID 109452735) is N'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide.
What is the SMILES notation for N'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The canonical SMILES for N'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide is CCN/C(=N\Cc1cccc(N(C)C)n1)N1CC(C)(C)C1(C)C.
What is the InChIKey of N'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The InChIKey is NFRGWMRSJRBPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5/c1-8-19-16(23-13-17(2,3)18(23,4)5)20-12-14-10-9-11-15(21-14)22(6)7/h9-11H,8,12-13H2,1-7H3,(H,19,20).
What are the key properties of N'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide?
N'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide has a molecular weight of 317.48 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide is sourced from PubChem (CID 109452735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).