N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

C16H34N4 — CID 109453638

IUPACN-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESCCN(CCN/C(=N\C)N1CC(C)(C)C1(C)C)C(C)C
InChIInChI=1S/C16H34N4/c1-9-19(13(2)3)11-10-18-14(17-8)20-12-15(4,5)16(20,6)7/h13H,9-12H2,1-8H3,(H,17,18)
InChIKeyWFECXOPADYPKBR-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.41
Rot. Bonds5

About N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (PubChem CID 109453638) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
PubChem CID109453638
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC NameN-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESCCN(CCN/C(=N\C)N1CC(C)(C)C1(C)C)C(C)C
InChIInChI=1S/C16H34N4/c1-9-19(13(2)3)11-10-18-14(17-8)20-12-15(4,5)16(20,6)7/h13H,9-12H2,1-8H3,(H,17,18)
InChIKeyWFECXOPADYPKBR-UHFFFAOYSA-N
XLogP2.41
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.41
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-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154501
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453357
N-(3-methoxypropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453350
N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453863
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
N-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109451863
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109451945
tert-butyl N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]carbamate
CID 109453890
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453901
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109451944
N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide
CID 109451751

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The IUPAC name of N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (CID 109453638) is N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.
What is the SMILES notation for N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The canonical SMILES for N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is CCN(CCN/C(=N\C)N1CC(C)(C)C1(C)C)C(C)C.
What is the InChIKey of N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The InChIKey is WFECXOPADYPKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-9-19(13(2)3)11-10-18-14(17-8)20-12-15(4,5)16(20,6)7/h13H,9-12H2,1-8H3,(H,17,18).
What are the key properties of N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide has a molecular weight of 282.48 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is sourced from PubChem (CID 109453638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).