N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide

C16H29N3 — CID 111770684

IUPACN-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide
SMILESCC/N=C(/NC1CC1C1CCCCC1)N1CCCC1
InChIInChI=1S/C16H29N3/c1-2-17-16(19-10-6-7-11-19)18-15-12-14(15)13-8-4-3-5-9-13/h13-15H,2-12H2,1H3,(H,17,18)
InChIKeyBCIJGTXZLNRVIN-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.02
Rot. Bonds3

About N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide

N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide (PubChem CID 111770684) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide
PubChem CID111770684
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide
SMILESCC/N=C(/NC1CC1C1CCCCC1)N1CCCC1
InChIInChI=1S/C16H29N3/c1-2-17-16(19-10-6-7-11-19)18-15-12-14(15)13-8-4-3-5-9-13/h13-15H,2-12H2,1H3,(H,17,18)
InChIKeyBCIJGTXZLNRVIN-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide (CID 111770684) is N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide is CC/N=C(/NC1CC1C1CCCCC1)N1CCCC1.
What is the InChIKey of N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide?
The InChIKey is BCIJGTXZLNRVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-2-17-16(19-10-6-7-11-19)18-15-12-14(15)13-8-4-3-5-9-13/h13-15H,2-12H2,1H3,(H,17,18).
What are the key properties of N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide?
N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide has a molecular weight of 263.43 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111770684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).