1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine

C18H28N4 — CID 111781702

IUPAC1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NCCc1c[nH]c2c(C)cccc12
InChIInChI=1S/C18H28N4/c1-5-19-18(22-11-13(2)3)20-10-9-15-12-21-17-14(4)7-6-8-16(15)17/h6-8,12-13,21H,5,9-11H2,1-4H3,(H2,19,20,22)
InChIKeyKZVVDNDCRRWXRY-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.23
Rot. Bonds6

About 1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine

1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine (PubChem CID 111781702) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine
PubChem CID111781702
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NCCc1c[nH]c2c(C)cccc12
InChIInChI=1S/C18H28N4/c1-5-19-18(22-11-13(2)3)20-10-9-15-12-21-17-14(4)7-6-8-16(15)17/h6-8,12-13,21H,5,9-11H2,1-4H3,(H2,19,20,22)
InChIKeyKZVVDNDCRRWXRY-UHFFFAOYSA-N
XLogP3.23
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.23
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

1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111178735
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine
CID 111781710
1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111784235
1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111786304
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111787128
1-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111808945
1-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111714762
1-cyclopropyl-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111464836
1-ethyl-2-(2-methylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109401423
1-ethyl-3-[2-(3-methylphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111178642
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111835579
1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 124726945

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine (CID 111781702) is 1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine is CCN/C(=N\CC(C)C)NCCc1c[nH]c2c(C)cccc12.
What is the InChIKey of 1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine?
The InChIKey is KZVVDNDCRRWXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-5-19-18(22-11-13(2)3)20-10-9-15-12-21-17-14(4)7-6-8-16(15)17/h6-8,12-13,21H,5,9-11H2,1-4H3,(H2,19,20,22).
What are the key properties of 1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine?
1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine has a molecular weight of 300.45 g/mol, XLogP of 3.23, 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-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 111781702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).