3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine

C18H26N4 — CID 109496534

IUPAC3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H26N4/c1-4-5-8-13-22(3)18(19-2)20-12-11-15-14-21-17-10-7-6-9-16(15)17/h4,6-7,9-10,14,21H,1,5,8,11-13H2,2-3H3,(H,19,20)
InChIKeyMWWNYGKHLAYHJO-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.18
Rot. Bonds7

About 3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine

3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine (PubChem CID 109496534) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
PubChem CID109496534
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H26N4/c1-4-5-8-13-22(3)18(19-2)20-12-11-15-14-21-17-10-7-6-9-16(15)17/h4,6-7,9-10,14,21H,1,5,8,11-13H2,2-3H3,(H,19,20)
InChIKeyMWWNYGKHLAYHJO-UHFFFAOYSA-N
XLogP3.18
TPSA43.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(1H-indol-2-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109496349
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483900
1,2-dimethyl-1-pent-4-enyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 109497572
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethylguanidine
CID 111296353
1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 86812869
3-[2-(5-bromofuran-2-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496888
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110995827
N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide
CID 108528550
3-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497082
3-but-3-enyl-1H-indole
CID 57142098
3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496358
N-[2-(1H-indol-3-yl)ethyl]but-3-enethioamide
CID 3005127

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The IUPAC name of 3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine (CID 109496534) is 3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The canonical SMILES for 3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\C)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine?
The InChIKey is MWWNYGKHLAYHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-4-5-8-13-22(3)18(19-2)20-12-11-15-14-21-17-10-7-6-9-16(15)17/h4,6-7,9-10,14,21H,1,5,8,11-13H2,2-3H3,(H,19,20).
What are the key properties of 3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine?
3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine has a molecular weight of 298.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine is sourced from PubChem (CID 109496534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).