N-[(4-methoxyoxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

C16H31N3O2 — CID 109451725

IUPACN-[(4-methoxyoxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCC1(OC)CCOCC1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C16H31N3O2/c1-14(2)12-19(15(14,3)4)13(17-5)18-11-16(20-6)7-9-21-10-8-16/h7-12H2,1-6H3,(H,17,18)
InChIKeyBBUKCBXAQKCHHT-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.88
Rot. Bonds3

About N-[(4-methoxyoxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

N-[(4-methoxyoxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (PubChem CID 109451725) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[(4-methoxyoxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-[(4-methoxyoxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
PubChem CID109451725
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[(4-methoxyoxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCC1(OC)CCOCC1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C16H31N3O2/c1-14(2)12-19(15(14,3)4)13(17-5)18-11-16(20-6)7-9-21-10-8-16/h7-12H2,1-6H3,(H,17,18)
InChIKeyBBUKCBXAQKCHHT-UHFFFAOYSA-N
XLogP1.88
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.88
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

N-[(4-ethylsulfanyloxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109452923
N-(3-methoxypropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453350
2-ethyl-N-[(4-methoxyoxan-4-yl)methyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109487048
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453560
N',2,2,3,3-pentamethyl-N-(3-methyl-2-morpholin-4-ylbutyl)azetidine-1-carboximidamide;hydroiodide
CID 109453307
methyl 3-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]propanoate
CID 109453366
N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453954
1-[(1-ethylcyclobutyl)methyl]-3-[(4-methoxyoxan-4-yl)methyl]-2-methylguanidine
CID 109470788
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453357
N-[(4-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109452660
N-[[4-(methoxymethyl)phenyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453071
tert-butyl N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]carbamate
CID 109453890

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyoxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The IUPAC name of N-[(4-methoxyoxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (CID 109451725) is N-[(4-methoxyoxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.
What is the SMILES notation for N-[(4-methoxyoxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The canonical SMILES for N-[(4-methoxyoxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is C/N=C(\NCC1(OC)CCOCC1)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-[(4-methoxyoxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The InChIKey is BBUKCBXAQKCHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-14(2)12-19(15(14,3)4)13(17-5)18-11-16(20-6)7-9-21-10-8-16/h7-12H2,1-6H3,(H,17,18).
What are the key properties of N-[(4-methoxyoxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
N-[(4-methoxyoxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide has a molecular weight of 297.44 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyoxan-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is sourced from PubChem (CID 109451725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).