N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide

C17H34IN5O2 — CID 111927563

IUPACN-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
SMILESCCN/C(=N\CCN(CCOC)C1CC1)NCCNC(=O)C1CC1.I
InChIInChI=1S/C17H33N5O2.HI/c1-3-18-17(20-9-8-19-16(23)14-4-5-14)21-10-11-22(12-13-24-2)15-6-7-15;/h14-15H,3-13H2,1-2H3,(H,19,23)(H2,18,20,21);1H
InChIKeyRXWXTWPNFPVRAD-UHFFFAOYSA-N
MW467.40 g/mol
LogP0.80
Rot. Bonds12

About N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide

N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide (PubChem CID 111927563) has the molecular formula C17H34IN5O2 and a molecular weight of 467.40 g/mol. Its IUPAC name is N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
PubChem CID111927563
Molecular FormulaC17H34IN5O2
Molecular Weight467.40 g/mol
Exact Mass467.18
IUPAC NameN-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
SMILESCCN/C(=N\CCN(CCOC)C1CC1)NCCNC(=O)C1CC1.I
InChIInChI=1S/C17H33N5O2.HI/c1-3-18-17(20-9-8-19-16(23)14-4-5-14)21-10-11-22(12-13-24-2)15-6-7-15;/h14-15H,3-13H2,1-2H3,(H,19,23)(H2,18,20,21);1H
InChIKeyRXWXTWPNFPVRAD-UHFFFAOYSA-N
XLogP0.80
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.40
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;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

1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine
CID 111694194
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111237120
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256762
N-[2-[[N-ethyl-N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 110977680
N-[2-[[N-ethyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111928219
N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110913777
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 111544898
N-[2-[[N'-[2-(2-butoxyethoxy)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 111693887
N-[2-[[N-ethyl-N'-[3-(oxan-4-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111643509
N-[2-[[N-ethyl-N'-[3-(4-methylphenoxy)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111928149
N-[2-[(N-ethyl-N'-methylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111927159
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111394556

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide?
The IUPAC name of N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide (CID 111927563) is N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide?
The canonical SMILES for N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide is CCN/C(=N\CCN(CCOC)C1CC1)NCCNC(=O)C1CC1.I.
What is the InChIKey of N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide?
The InChIKey is RXWXTWPNFPVRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5O2.HI/c1-3-18-17(20-9-8-19-16(23)14-4-5-14)21-10-11-22(12-13-24-2)15-6-7-15;/h14-15H,3-13H2,1-2H3,(H,19,23)(H2,18,20,21);1H.
What are the key properties of N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide?
N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide has a molecular weight of 467.40 g/mol, XLogP of 0.80, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide is sourced from PubChem (CID 111927563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).