3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide

C19H29FIN5O — CID 111888210

IUPAC3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide
SMILESCCCNC(=O)CC/N=C(\NCC)NCCc1c[nH]c2cc(F)ccc12.I
InChIInChI=1S/C19H28FN5O.HI/c1-3-9-22-18(26)8-11-24-19(21-4-2)23-10-7-14-13-25-17-12-15(20)5-6-16(14)17;/h5-6,12-13,25H,3-4,7-11H2,1-2H3,(H,22,26)(H2,21,23,24);1H
InChIKeyANYORQHAYNVXOM-UHFFFAOYSA-N
MW489.38 g/mol
LogP2.94
Rot. Bonds9

About 3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide

3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide (PubChem CID 111888210) has the molecular formula C19H29FIN5O and a molecular weight of 489.38 g/mol. Its IUPAC name is 3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide
PubChem CID111888210
Molecular FormulaC19H29FIN5O
Molecular Weight489.38 g/mol
Exact Mass489.14
IUPAC Name3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide
SMILESCCCNC(=O)CC/N=C(\NCC)NCCc1c[nH]c2cc(F)ccc12.I
InChIInChI=1S/C19H28FN5O.HI/c1-3-9-22-18(26)8-11-24-19(21-4-2)23-10-7-14-13-25-17-12-15(20)5-6-16(14)17;/h5-6,12-13,25H,3-4,7-11H2,1-2H3,(H,22,26)(H2,21,23,24);1H
InChIKeyANYORQHAYNVXOM-UHFFFAOYSA-N
XLogP2.94
TPSA81.31 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.38
LogP ≤ 52.94
H-Bond Donors ≤ 54
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'}

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Related Compounds

1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111888214
2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide
CID 111972304
2-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111888256
N-[2-[[N-ethyl-N'-[2-(6-fluoro-1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111888987
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111888842
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(5-methoxypentyl)guanidine
CID 111888613
N-cyclopropyl-2-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]acetamide
CID 111887809
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 111246592
2-(4-ethoxybutyl)-1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111888617
2-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111887856
N-ethyl-4-[[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]benzamide
CID 111888089
N-[2-[[N-ethyl-N'-[2-(6-fluoro-1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]benzamide
CID 111888073

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide?
The IUPAC name of 3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide (CID 111888210) is 3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide?
The canonical SMILES for 3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide is CCCNC(=O)CC/N=C(\NCC)NCCc1c[nH]c2cc(F)ccc12.I.
What is the InChIKey of 3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide?
The InChIKey is ANYORQHAYNVXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN5O.HI/c1-3-9-22-18(26)8-11-24-19(21-4-2)23-10-7-14-13-25-17-12-15(20)5-6-16(14)17;/h5-6,12-13,25H,3-4,7-11H2,1-2H3,(H,22,26)(H2,21,23,24);1H.
What are the key properties of 3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide?
3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide has a molecular weight of 489.38 g/mol, XLogP of 2.94, 9 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide is sourced from PubChem (CID 111888210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).