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

C16H29N3 — CID 109451717

IUPACN-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCCC1=CCCC1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C16H29N3/c1-15(2)12-19(16(15,3)4)14(17-5)18-11-10-13-8-6-7-9-13/h8H,6-7,9-12H2,1-5H3,(H,17,18)
InChIKeyZONGRAMNYWBIPD-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.18
Rot. Bonds3

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

N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (PubChem CID 109451717) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
PubChem CID109451717
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCCC1=CCCC1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C16H29N3/c1-15(2)12-19(16(15,3)4)14(17-5)18-11-10-13-8-6-7-9-13/h8H,6-7,9-12H2,1-5H3,(H,17,18)
InChIKeyZONGRAMNYWBIPD-UHFFFAOYSA-N
XLogP3.18
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109451716
N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide;hydroiodide
CID 109453571
N',2,2,3,3-pentamethyl-N-[(E)-pent-3-enyl]azetidine-1-carboximidamide
CID 109453572
1-[2-(Cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109468902
N-[2-(cyclohexen-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739716

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (CID 109451717) is N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is C/N=C(\NCCC1=CCCC1)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The InChIKey is ZONGRAMNYWBIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-15(2)12-19(16(15,3)4)14(17-5)18-11-10-13-8-6-7-9-13/h8H,6-7,9-12H2,1-5H3,(H,17,18).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide has a molecular weight of 263.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is sourced from PubChem (CID 109451717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).