N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide

C12H23N3 — CID 100660770

IUPACN',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide
SMILESC=CCN/C(=N\C)N1CC(C)(C)C1(C)C
InChIInChI=1S/C12H23N3/c1-7-8-14-10(13-6)15-9-11(2,3)12(15,4)5/h7H,1,8-9H2,2-6H3,(H,13,14)
InChIKeyUXRYIXCPANOFAD-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.87
Rot. Bonds2

About N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide

N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide (PubChem CID 100660770) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide
PubChem CID100660770
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide
SMILESC=CCN/C(=N\C)N1CC(C)(C)C1(C)C
InChIInChI=1S/C12H23N3/c1-7-8-14-10(13-6)15-9-11(2,3)12(15,4)5/h7H,1,8-9H2,2-6H3,(H,13,14)
InChIKeyUXRYIXCPANOFAD-UHFFFAOYSA-N
XLogP1.87
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.87
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',2,2,3,3-pentamethyl-N-propylazetidine-1-carboximidamide;hydroiodide
CID 109452280
N',2,2,3,3-pentamethyl-N-propylazetidine-1-carboximidamide
CID 109452281
N',2,2,3,3-pentamethyl-N-(3-methylbutyl)azetidine-1-carboximidamide
CID 109452283
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-ethyl-2,2,3,3-tetramethyl-N'-(2-prop-2-enylsulfanylethyl)azetidine-1-carboximidamide
CID 109452479
N-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide
CID 109452839
N,N'-diethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109452854
N,N'-diethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109452855
N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide;hydroiodide
CID 109453032
N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453035
N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453036

Frequently Asked Questions

What is the IUPAC name of N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide (CID 100660770) is N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide is C=CCN/C(=N\C)N1CC(C)(C)C1(C)C.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide?
The InChIKey is UXRYIXCPANOFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-7-8-14-10(13-6)15-9-11(2,3)12(15,4)5/h7H,1,8-9H2,2-6H3,(H,13,14).
What are the key properties of N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide?
N',2,2,3,3-pentamethyl-N-prop-2-enylazetidine-1-carboximidamide has a molecular weight of 209.34 g/mol, XLogP of 1.87, 2 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-prop-2-enylazetidine-1-carboximidamide is sourced from PubChem (CID 100660770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).