1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide

C16H25IN4O — CID 111234994

IUPAC1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)NC(C)COC.I
InChIInChI=1S/C16H24N4O.HI/c1-4-17-16(19-12(2)11-21-3)18-10-14-9-13-7-5-6-8-15(13)20-14;/h5-9,12,20H,4,10-11H2,1-3H3,(H2,17,18,19);1H
InChIKeyQPHGTEIVZWNSOL-UHFFFAOYSA-N
MW416.31 g/mol
LogP2.88
Rot. Bonds6

About 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide

1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide (PubChem CID 111234994) has the molecular formula C16H25IN4O and a molecular weight of 416.31 g/mol. Its IUPAC name is 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
PubChem CID111234994
Molecular FormulaC16H25IN4O
Molecular Weight416.31 g/mol
Exact Mass416.11
IUPAC Name1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)NC(C)COC.I
InChIInChI=1S/C16H24N4O.HI/c1-4-17-16(19-12(2)11-21-3)18-10-14-9-13-7-5-6-8-15(13)20-14;/h5-9,12,20H,4,10-11H2,1-3H3,(H2,17,18,19);1H
InChIKeyQPHGTEIVZWNSOL-UHFFFAOYSA-N
XLogP2.88
TPSA61.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine
CID 111126946
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine;hydroiodide
CID 110998394
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948477
2-benzyl-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236133
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
CID 111247251
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
1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
CID 110990559
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111235808
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 111237171
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234708
N-tert-butyl-2-[[N-ethyl-N'-(1H-indol-2-ylmethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111384718

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide (CID 111234994) is 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide is CCN/C(=N\Cc1cc2ccccc2[nH]1)NC(C)COC.I.
What is the InChIKey of 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The InChIKey is QPHGTEIVZWNSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.HI/c1-4-17-16(19-12(2)11-21-3)18-10-14-9-13-7-5-6-8-15(13)20-14;/h5-9,12,20H,4,10-11H2,1-3H3,(H2,17,18,19);1H.
What are the key properties of 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide has a molecular weight of 416.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111234994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).