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

C17H26N4 — CID 111117715

IUPAC1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine
SMILESCCc1cccc2c(CC/N=C(\N)NC(C)CC)c[nH]c12
InChIInChI=1S/C17H26N4/c1-4-12(3)21-17(18)19-10-9-14-11-20-16-13(5-2)7-6-8-15(14)16/h6-8,11-12,20H,4-5,9-10H2,1-3H3,(H3,18,19,21)
InChIKeySAEMUWLVUKCBAI-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.98
Rot. Bonds6

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

1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine (PubChem CID 111117715) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine
PubChem CID111117715
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine
SMILESCCc1cccc2c(CC/N=C(\N)NC(C)CC)c[nH]c12
InChIInChI=1S/C17H26N4/c1-4-12(3)21-17(18)19-10-9-14-11-20-16-13(5-2)7-6-8-15(14)16/h6-8,11-12,20H,4-5,9-10H2,1-3H3,(H3,18,19,21)
InChIKeySAEMUWLVUKCBAI-UHFFFAOYSA-N
XLogP2.98
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.98
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-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111464833
1-butan-2-yl-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine
CID 122081856
1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine
CID 111807078
N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide
CID 111807074
1-butan-2-yl-2-[2-(2-chlorophenyl)ethyl]guanidine
CID 110920367
1-butan-2-yl-2-[2-[2-(difluoromethoxy)phenyl]ethyl]guanidine
CID 110062321
1-(7-ethyl-1H-indol-3-yl)butan-2-amine
CID 154181307
1-butan-2-yl-2-[2-(2,4-dimethylphenyl)ethyl]guanidine;hydroiodide
CID 110921044
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111835579
1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111808947
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111807075
1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110920131

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine (CID 111117715) is 1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine is CCc1cccc2c(CC/N=C(\N)NC(C)CC)c[nH]c12.
What is the InChIKey of 1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine?
The InChIKey is SAEMUWLVUKCBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-12(3)21-17(18)19-10-9-14-11-20-16-13(5-2)7-6-8-15(14)16/h6-8,11-12,20H,4-5,9-10H2,1-3H3,(H3,18,19,21).
What are the key properties of 1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine?
1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine has a molecular weight of 286.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 111117715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).