1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine

C17H24N4 — CID 110990559

IUPAC1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)NC1CCCC1
InChIInChI=1S/C17H24N4/c1-2-18-17(21-14-8-4-5-9-14)19-12-15-11-13-7-3-6-10-16(13)20-15/h3,6-7,10-11,14,20H,2,4-5,8-9,12H2,1H3,(H2,18,19,21)
InChIKeyKNMNLJWEGJXXME-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.17
Rot. Bonds4

About 1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine

1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine (PubChem CID 110990559) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
PubChem CID110990559
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)NC1CCCC1
InChIInChI=1S/C17H24N4/c1-2-18-17(21-14-8-4-5-9-14)19-12-15-11-13-7-3-6-10-16(13)20-15/h3,6-7,10-11,14,20H,2,4-5,8-9,12H2,1H3,(H2,18,19,21)
InChIKeyKNMNLJWEGJXXME-UHFFFAOYSA-N
XLogP3.17
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.17
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-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine
CID 111126946
1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine
CID 111087874
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1H-indol-2-ylmethyl)guanidine;hydroiodide
CID 111260908
1-ethyl-2-(1H-indol-2-ylmethyl)-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111387575
N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 110955580
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948477
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473466
2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine
CID 111791028
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
CID 111247251
2-[[N-ethyl-N'-(1H-indol-2-ylmethyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365316
N-ethyl-N'-(1H-indol-2-ylmethyl)-3-methylpiperidine-1-carboximidamide
CID 111145802
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234994

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine (CID 110990559) is 1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine is CCN/C(=N\Cc1cc2ccccc2[nH]1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine?
The InChIKey is KNMNLJWEGJXXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-18-17(21-14-8-4-5-9-14)19-12-15-11-13-7-3-6-10-16(13)20-15/h3,6-7,10-11,14,20H,2,4-5,8-9,12H2,1H3,(H2,18,19,21).
What are the key properties of 1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine?
1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine has a molecular weight of 284.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine is sourced from PubChem (CID 110990559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).