1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine

C16H24N4 — CID 110996369

IUPAC1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine
SMILESCCC/N=C(\NCC)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N4/c1-3-10-18-16(17-4-2)19-11-9-13-12-20-15-8-6-5-7-14(13)15/h5-8,12,20H,3-4,9-11H2,1-2H3,(H2,17,18,19)
InChIKeyIMAZHZVPGKHUNT-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.68
Rot. Bonds6

About 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine

1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine (PubChem CID 110996369) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine
PubChem CID110996369
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine
SMILESCCC/N=C(\NCC)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N4/c1-3-10-18-16(17-4-2)19-11-9-13-12-20-15-8-6-5-7-14(13)15/h5-8,12,20H,3-4,9-11H2,1-2H3,(H2,17,18,19)
InChIKeyIMAZHZVPGKHUNT-UHFFFAOYSA-N
XLogP2.68
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethyl)-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110997457
1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 110996306
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110996661
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 110995650
methyl 7-[[ethylamino-[2-(1H-indol-3-yl)ethylamino]methylidene]amino]heptanoate
CID 110997171
methyl 7-[[ethylamino-[2-(1H-indol-3-yl)ethylamino]methylidene]amino]heptanoate;hydroiodide
CID 110997170
2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111759670
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 110996346
1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110996329
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109400928
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 110996545
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110996636

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine?
The IUPAC name of 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine (CID 110996369) is 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine.
What is the SMILES notation for 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine?
The canonical SMILES for 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine is CCC/N=C(\NCC)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine?
The InChIKey is IMAZHZVPGKHUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-10-18-16(17-4-2)19-11-9-13-12-20-15-8-6-5-7-14(13)15/h5-8,12,20H,3-4,9-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine?
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine has a molecular weight of 272.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine is sourced from PubChem (CID 110996369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).