N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide

C24H36IN5O — CID 111985074

IUPACN-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide
SMILESCCN/C(=N\CCCc1c[nH]c2ccccc12)NC1CCCC(C(=O)NC2CC2)C1.I
InChIInChI=1S/C24H35N5O.HI/c1-2-25-24(26-14-6-8-18-16-27-22-11-4-3-10-21(18)22)29-20-9-5-7-17(15-20)23(30)28-19-12-13-19;/h3-4,10-11,16-17,19-20,27H,2,5-9,12-15H2,1H3,(H,28,30)(H2,25,26,29);1H
InChIKeyACLNOIJTLPPISE-UHFFFAOYSA-N
MW537.49 g/mol
LogP4.11
Rot. Bonds8

About N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide

N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide (PubChem CID 111985074) has the molecular formula C24H36IN5O and a molecular weight of 537.49 g/mol. Its IUPAC name is N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide
PubChem CID111985074
Molecular FormulaC24H36IN5O
Molecular Weight537.49 g/mol
Exact Mass537.20
IUPAC NameN-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide
SMILESCCN/C(=N\CCCc1c[nH]c2ccccc12)NC1CCCC(C(=O)NC2CC2)C1.I
InChIInChI=1S/C24H35N5O.HI/c1-2-25-24(26-14-6-8-18-16-27-22-11-4-3-10-21(18)22)29-20-9-5-7-17(15-20)23(30)28-19-12-13-19;/h3-4,10-11,16-17,19-20,27H,2,5-9,12-15H2,1H3,(H,28,30)(H2,25,26,29);1H
InChIKeyACLNOIJTLPPISE-UHFFFAOYSA-N
XLogP4.11
TPSA81.31 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.49
LogP ≤ 54.11
H-Bond Donors ≤ 54
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

1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111979481
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 109440287
1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110990949
2-[4-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]piperidin-1-yl]-N-methylacetamide;hydroiodide
CID 111984330
1-(1-butylpiperidin-4-yl)-3-ethyl-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
CID 111984660
1-ethyl-2-[3-(1H-indol-3-yl)propyl]-3-(6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 111984624
1-ethyl-2-[3-(1H-indol-3-yl)propyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
CID 111984261
1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806478
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110995873
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111918736
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-ethyl-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
CID 111989460
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide?
The IUPAC name of N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide (CID 111985074) is N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide.
What is the SMILES notation for N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide?
The canonical SMILES for N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide is CCN/C(=N\CCCc1c[nH]c2ccccc12)NC1CCCC(C(=O)NC2CC2)C1.I.
What is the InChIKey of N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide?
The InChIKey is ACLNOIJTLPPISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O.HI/c1-2-25-24(26-14-6-8-18-16-27-22-11-4-3-10-21(18)22)29-20-9-5-7-17(15-20)23(30)28-19-12-13-19;/h3-4,10-11,16-17,19-20,27H,2,5-9,12-15H2,1H3,(H,28,30)(H2,25,26,29);1H.
What are the key properties of N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide?
N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide has a molecular weight of 537.49 g/mol, XLogP of 4.11, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide is sourced from PubChem (CID 111985074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).