N-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide

C12H23N3 — CID 97005164

IUPACN-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CCCCC1)N1CCCC1
InChIInChI=1S/C12H23N3/c1-13-12(15-9-5-6-10-15)14-11-7-3-2-4-8-11/h11H,2-10H2,1H3,(H,13,14)
InChIKeyOSGDRSJYKAKVER-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.99
Rot. Bonds1

About N-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide

N-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 97005164) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide
PubChem CID97005164
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CCCCC1)N1CCCC1
InChIInChI=1S/C12H23N3/c1-13-12(15-9-5-6-10-15)14-11-7-3-2-4-8-11/h11H,2-10H2,1H3,(H,13,14)
InChIKeyOSGDRSJYKAKVER-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide (CID 97005164) is N-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide is C/N=C(/NC1CCCCC1)N1CCCC1.
What is the InChIKey of N-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is OSGDRSJYKAKVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-13-12(15-9-5-6-10-15)14-11-7-3-2-4-8-11/h11H,2-10H2,1H3,(H,13,14).
What are the key properties of N-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide?
N-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 209.34 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 97005164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).