N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

C19H37N3O — CID 109453560

IUPACN-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESCCOCCC1(CN/C(=N\C)N2CC(C)(C)C2(C)C)CCCC1
InChIInChI=1S/C19H37N3O/c1-7-23-13-12-19(10-8-9-11-19)14-21-16(20-6)22-15-17(2,3)18(22,4)5/h7-15H2,1-6H3,(H,20,21)
InChIKeyKOUALAGCOZVWFJ-UHFFFAOYSA-N
MW323.53 g/mol
LogP3.67
Rot. Bonds6

About N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (PubChem CID 109453560) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
PubChem CID109453560
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC NameN-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESCCOCCC1(CN/C(=N\C)N2CC(C)(C)C2(C)C)CCCC1
InChIInChI=1S/C19H37N3O/c1-7-23-13-12-19(10-8-9-11-19)14-21-16(20-6)22-15-17(2,3)18(22,4)5/h7-15H2,1-6H3,(H,20,21)
InChIKeyKOUALAGCOZVWFJ-UHFFFAOYSA-N
XLogP3.67
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 53.67
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The IUPAC name of N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (CID 109453560) is N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The canonical SMILES for N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is CCOCCC1(CN/C(=N\C)N2CC(C)(C)C2(C)C)CCCC1.
What is the InChIKey of N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The InChIKey is KOUALAGCOZVWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O/c1-7-23-13-12-19(10-8-9-11-19)14-21-16(20-6)22-15-17(2,3)18(22,4)5/h7-15H2,1-6H3,(H,20,21).
What are the key properties of N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide has a molecular weight of 323.53 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is sourced from PubChem (CID 109453560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).