1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine

C15H22N4 — CID 111126946

IUPAC1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)NC(C)C
InChIInChI=1S/C15H22N4/c1-4-16-15(18-11(2)3)17-10-13-9-12-7-5-6-8-14(12)19-13/h5-9,11,19H,4,10H2,1-3H3,(H2,16,17,18)
InChIKeyZSWNBDISSLINQZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.63
Rot. Bonds4

About 1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine

1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine (PubChem CID 111126946) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine
PubChem CID111126946
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)NC(C)C
InChIInChI=1S/C15H22N4/c1-4-16-15(18-11(2)3)17-10-13-9-12-7-5-6-8-14(12)19-13/h5-9,11,19H,4,10H2,1-3H3,(H2,16,17,18)
InChIKeyZSWNBDISSLINQZ-UHFFFAOYSA-N
XLogP2.63
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.63
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-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234994
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948477
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine;hydroiodide
CID 110998394
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
CID 111247251
1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
CID 110990559
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473466
2-[[N-ethyl-N'-(1H-indol-2-ylmethyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365316
N-ethyl-N'-(1H-indol-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 110955580
N-tert-butyl-2-[[N-ethyl-N'-(1H-indol-2-ylmethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111384718
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111930820
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111139660
1-ethyl-2-(1H-indol-2-ylmethyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111014196

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine?
The IUPAC name of 1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine (CID 111126946) is 1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine.
What is the SMILES notation for 1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine?
The canonical SMILES for 1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine is CCN/C(=N\Cc1cc2ccccc2[nH]1)NC(C)C.
What is the InChIKey of 1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine?
The InChIKey is ZSWNBDISSLINQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-16-15(18-11(2)3)17-10-13-9-12-7-5-6-8-14(12)19-13/h5-9,11,19H,4,10H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine?
1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine has a molecular weight of 258.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine is sourced from PubChem (CID 111126946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).