N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide

C14H27N3 — CID 109453572

IUPACN',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide
SMILESC/C=C/CCN/C(=N\C)N1CC(C)(C)C1(C)C
InChIInChI=1S/C14H27N3/c1-7-8-9-10-16-12(15-6)17-11-13(2,3)14(17,4)5/h7-8H,9-11H2,1-6H3,(H,15,16)/b8-7+
InChIKeyQTSOHYGGVSJGMP-BQYQJAHWSA-N
MW237.39 g/mol
LogP2.65
Rot. Bonds3

About N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide

N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide (PubChem CID 109453572) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide
PubChem CID109453572
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide
SMILESC/C=C/CCN/C(=N\C)N1CC(C)(C)C1(C)C
InChIInChI=1S/C14H27N3/c1-7-8-9-10-16-12(15-6)17-11-13(2,3)14(17,4)5/h7-8H,9-11H2,1-6H3,(H,15,16)/b8-7+
InChIKeyQTSOHYGGVSJGMP-BQYQJAHWSA-N
XLogP2.65
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide
CID 100660770
N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109451716
N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109451717
N-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide;hydroiodide
CID 109452468
N-ethyl-2,2,3,3-tetramethyl-N'-prop-2-enylazetidine-1-carboximidamide
CID 109452469
N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide
CID 109453032
N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide
CID 109453571
N',3,3-trimethyl-N-pent-3-enylpyrrolidine-1-carboximidamide
CID 112184243
N-ethyl-3,3-dimethyl-N'-[(E)-pent-3-enyl]pyrrolidine-1-carboximidamide
CID 112184255

Frequently Asked Questions

What is the IUPAC name of N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide (CID 109453572) is N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide is C/C=C/CCN/C(=N\C)N1CC(C)(C)C1(C)C.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide?
The InChIKey is QTSOHYGGVSJGMP-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H27N3/c1-7-8-9-10-16-12(15-6)17-11-13(2,3)14(17,4)5/h7-8H,9-11H2,1-6H3,(H,15,16)/b8-7+.
What are the key properties of N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide?
N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide has a molecular weight of 237.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide is sourced from PubChem (CID 109453572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).