1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide

C17H23IN4 — CID 136921844

IUPAC1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide
SMILESC#CCN/C(=N/CCc1c[nH]c2cc(C)ccc12)NCC.I
InChIInChI=1S/C17H22N4.HI/c1-4-9-19-17(18-5-2)20-10-8-14-12-21-16-11-13(3)6-7-15(14)16;/h1,6-7,11-12,21H,5,8-10H2,2-3H3,(H2,18,19,20);1H
InChIKeyRTQLZQPYGFJWFG-UHFFFAOYSA-N
MW410.30 g/mol
LogP2.83
Rot. Bonds5

About 1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide

1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide (PubChem CID 136921844) has the molecular formula C17H23IN4 and a molecular weight of 410.30 g/mol. Its IUPAC name is 1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide
PubChem CID136921844
Molecular FormulaC17H23IN4
Molecular Weight410.30 g/mol
Exact Mass410.10
IUPAC Name1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide
SMILESC#CCN/C(=N/CCc1c[nH]c2cc(C)ccc12)NCC.I
InChIInChI=1S/C17H22N4.HI/c1-4-9-19-17(18-5-2)20-10-8-14-12-21-16-11-13(3)6-7-15(14)16;/h1,6-7,11-12,21H,5,8-10H2,2-3H3,(H2,18,19,20);1H
InChIKeyRTQLZQPYGFJWFG-UHFFFAOYSA-N
XLogP2.83
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 52.83
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110965711
1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-propan-2-ylguanidine
CID 111126570
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 109396698
2-(3-ethoxypropyl)-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111222952
1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111934187
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111142884
methyl 5-[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]pentanoate
CID 111973824
1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972212
propan-2-yl 3-[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]propanoate
CID 111973770
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111973740
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111393009
2-(3-benzylsulfonylpropyl)-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111974393

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide (CID 136921844) is 1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide is C#CCN/C(=N/CCc1c[nH]c2cc(C)ccc12)NCC.I.
What is the InChIKey of 1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide?
The InChIKey is RTQLZQPYGFJWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4.HI/c1-4-9-19-17(18-5-2)20-10-8-14-12-21-16-11-13(3)6-7-15(14)16;/h1,6-7,11-12,21H,5,8-10H2,2-3H3,(H2,18,19,20);1H.
What are the key properties of 1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide?
1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide has a molecular weight of 410.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide is sourced from PubChem (CID 136921844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).