N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide

C22H35IN4O — CID 111723766

IUPACN-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide
SMILESCCN/C(=N\CCC(=O)NC1CCCCC1)N1CCC(c2ccccc2)C1.I
InChIInChI=1S/C22H34N4O.HI/c1-2-23-22(24-15-13-21(27)25-20-11-7-4-8-12-20)26-16-14-19(17-26)18-9-5-3-6-10-18;/h3,5-6,9-10,19-20H,2,4,7-8,11-17H2,1H3,(H,23,24)(H,25,27);1H
InChIKeyWENHAZQGGWDNFN-UHFFFAOYSA-N
MW498.45 g/mol
LogP3.90
Rot. Bonds6

About N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide

N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide (PubChem CID 111723766) has the molecular formula C22H35IN4O and a molecular weight of 498.45 g/mol. Its IUPAC name is N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide
PubChem CID111723766
Molecular FormulaC22H35IN4O
Molecular Weight498.45 g/mol
Exact Mass498.19
IUPAC NameN-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide
SMILESCCN/C(=N\CCC(=O)NC1CCCCC1)N1CCC(c2ccccc2)C1.I
InChIInChI=1S/C22H34N4O.HI/c1-2-23-22(24-15-13-21(27)25-20-11-7-4-8-12-20)26-16-14-19(17-26)18-9-5-3-6-10-18;/h3,5-6,9-10,19-20H,2,4,7-8,11-17H2,1H3,(H,23,24)(H,25,27);1H
InChIKeyWENHAZQGGWDNFN-UHFFFAOYSA-N
XLogP3.90
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide 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

3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide
CID 111722793
N-cyclopentyl-3-[[ethylamino-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methylidene]amino]propanamide
CID 111749331
N-ethyl-N'-(2-hydroxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111990952
N-cyclopentyl-3-[[ethylamino-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methylidene]amino]propanamide;hydroiodide
CID 111527602
methyl 5-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]pentanoate;hydroiodide
CID 111723376
N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide
CID 111144644
N-benzyl-3-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]propanamide;hydroiodide
CID 111732016
N-ethyl-N'-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724218
ethyl 4-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]butanoate
CID 111723371
N-cyclopentyl-3-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]propanamide
CID 111736603
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111722878

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide?
The IUPAC name of N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide (CID 111723766) is N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide.
What is the SMILES notation for N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide?
The canonical SMILES for N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide is CCN/C(=N\CCC(=O)NC1CCCCC1)N1CCC(c2ccccc2)C1.I.
What is the InChIKey of N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide?
The InChIKey is WENHAZQGGWDNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O.HI/c1-2-23-22(24-15-13-21(27)25-20-11-7-4-8-12-20)26-16-14-19(17-26)18-9-5-3-6-10-18;/h3,5-6,9-10,19-20H,2,4,7-8,11-17H2,1H3,(H,23,24)(H,25,27);1H.
What are the key properties of N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide?
N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide has a molecular weight of 498.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide is sourced from PubChem (CID 111723766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).