N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

C15H31N3O — CID 109453954

IUPACN-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCCCCCOC)N1CC(C)(C)C1(C)C
InChIInChI=1S/C15H31N3O/c1-14(2)12-18(15(14,3)4)13(16-5)17-10-8-7-9-11-19-6/h7-12H2,1-6H3,(H,16,17)
InChIKeyXWQGNHBPMQZKIA-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.50
Rot. Bonds6

About N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (PubChem CID 109453954) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
PubChem CID109453954
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCCCCCOC)N1CC(C)(C)C1(C)C
InChIInChI=1S/C15H31N3O/c1-14(2)12-18(15(14,3)4)13(16-5)17-10-8-7-9-11-19-6/h7-12H2,1-6H3,(H,16,17)
InChIKeyXWQGNHBPMQZKIA-UHFFFAOYSA-N
XLogP2.50
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453350
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453357
ethyl 7-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]heptanoate;hydroiodide
CID 109453897
methyl 3-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]propanoate
CID 109453366
N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453863
tert-butyl N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]carbamate
CID 109453890
1-[4-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 109453959
N-[2-(4-methoxyphenyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109452664
N',2,2,3,3-pentamethyl-N-[3-(4-methylpyrazol-1-yl)propyl]azetidine-1-carboximidamide
CID 109451901
N',2,2,3,3-pentamethyl-N-[3-(4-methylpyrazol-1-yl)propyl]azetidine-1-carboximidamide;hydroiodide
CID 109451900
N-[[4-(methoxymethyl)phenyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453071
N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453638

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The IUPAC name of N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (CID 109453954) is N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.
What is the SMILES notation for N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The canonical SMILES for N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is C/N=C(\NCCCCCOC)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The InChIKey is XWQGNHBPMQZKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-14(2)12-18(15(14,3)4)13(16-5)17-10-8-7-9-11-19-6/h7-12H2,1-6H3,(H,16,17).
What are the key properties of N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide has a molecular weight of 269.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is sourced from PubChem (CID 109453954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).