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'}

Analyze N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclohexylcyclopropyl)-N'-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119162954
1-(2-cyclohexylcyclopropyl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111774940
N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 110956792
1-(2-cyclohexylcyclopropyl)-2-propylguanidine;hydroiodide
CID 111820037
N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111770663
1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide
CID 111773693
N-(2-cyclohexylcyclopropyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 71929793
1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012285
ethyl 1-[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155837
1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine
CID 119146241
2-[[[(2-cyclohexylcyclopropyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111775775
1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111819995

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).