2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide

C16H31IN4O — CID 110956101

IUPAC2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)CC1CCCC1)N1CCCC1.I
InChIInChI=1S/C16H30N4O.HI/c1-2-17-16(20-11-5-6-12-20)19-10-9-18-15(21)13-14-7-3-4-8-14;/h14H,2-13H2,1H3,(H,17,19)(H,18,21);1H
InChIKeyGHZRIYNALCLSIH-UHFFFAOYSA-N
MW422.36 g/mol
LogP2.36
Rot. Bonds6

About 2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide

2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide (PubChem CID 110956101) has the molecular formula C16H31IN4O and a molecular weight of 422.36 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide
PubChem CID110956101
Molecular FormulaC16H31IN4O
Molecular Weight422.36 g/mol
Exact Mass422.15
IUPAC Name2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)CC1CCCC1)N1CCCC1.I
InChIInChI=1S/C16H30N4O.HI/c1-2-17-16(20-11-5-6-12-20)19-10-9-18-15(21)13-14-7-3-4-8-14;/h14H,2-13H2,1H3,(H,17,19)(H,18,21);1H
InChIKeyGHZRIYNALCLSIH-UHFFFAOYSA-N
XLogP2.36
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide
CID 111211589
N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 110956103
2-cyclopentyl-N-[2-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(ethylamino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111269618
2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111929718
2-cyclohexyl-N-[2-[[ethylamino-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]methylidene]amino]ethyl]acetamide
CID 109434753
N-[2-[[ethylamino-[4-(2-hydroxyphenyl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 111184699
N-cyclopropyl-4-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]butanamide;hydroiodide
CID 110956221
N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide
CID 111160513
N-ethyl-4-methyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111211580
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111152339
4-acetyl-N-ethyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110962566
N-[2-[[ethylamino-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111367102

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide?
The IUPAC name of 2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide (CID 110956101) is 2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide.
What is the SMILES notation for 2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide?
The canonical SMILES for 2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide is CCN/C(=N\CCNC(=O)CC1CCCC1)N1CCCC1.I.
What is the InChIKey of 2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide?
The InChIKey is GHZRIYNALCLSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O.HI/c1-2-17-16(20-11-5-6-12-20)19-10-9-18-15(21)13-14-7-3-4-8-14;/h14H,2-13H2,1H3,(H,17,19)(H,18,21);1H.
What are the key properties of 2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide?
2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide has a molecular weight of 422.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide is sourced from PubChem (CID 110956101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).