N',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide

C12H23N3 — CID 111738316

IUPACN',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC1C)N1CCC(C)(C)C1
InChIInChI=1S/C12H23N3/c1-9-7-10(9)14-11(13-4)15-6-5-12(2,3)8-15/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyKHYQFELIPVRQBX-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.70
Rot. Bonds1

About N',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide

N',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide (PubChem CID 111738316) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide
PubChem CID111738316
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC1C)N1CCC(C)(C)C1
InChIInChI=1S/C12H23N3/c1-9-7-10(9)14-11(13-4)15-6-5-12(2,3)8-15/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyKHYQFELIPVRQBX-UHFFFAOYSA-N
XLogP1.70
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.70
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'}

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Frequently Asked Questions

What is the IUPAC name of N',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide (CID 111738316) is N',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide is C/N=C(/NC1CC1C)N1CCC(C)(C)C1.
What is the InChIKey of N',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide?
The InChIKey is KHYQFELIPVRQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-9-7-10(9)14-11(13-4)15-6-5-12(2,3)8-15/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide?
N',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide has a molecular weight of 209.34 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,3-trimethyl-N-(2-methylcyclopropyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111738316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).