1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide

C16H25IN4O2 — CID 111975103

IUPAC1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCCCc1cc2c(OC)cc(OC)cc2[nH]1.I
InChIInChI=1S/C16H24N4O2.HI/c1-17-16(18-2)19-7-5-6-11-8-13-14(20-11)9-12(21-3)10-15(13)22-4;/h8-10,20H,5-7H2,1-4H3,(H2,17,18,19);1H
InChIKeyXWEBDNNMDDTFIY-UHFFFAOYSA-N
MW432.31 g/mol
LogP2.53
Rot. Bonds6

About 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide

1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide (PubChem CID 111975103) has the molecular formula C16H25IN4O2 and a molecular weight of 432.31 g/mol. Its IUPAC name is 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide
PubChem CID111975103
Molecular FormulaC16H25IN4O2
Molecular Weight432.31 g/mol
Exact Mass432.10
IUPAC Name1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCCCc1cc2c(OC)cc(OC)cc2[nH]1.I
InChIInChI=1S/C16H24N4O2.HI/c1-17-16(18-2)19-7-5-6-11-8-13-14(20-11)9-12(21-3)10-15(13)22-4;/h8-10,20H,5-7H2,1-4H3,(H2,17,18,19);1H
InChIKeyXWEBDNNMDDTFIY-UHFFFAOYSA-N
XLogP2.53
TPSA70.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine
CID 111975104
1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111975568
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine
CID 111975112
N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488132
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide
CID 111975538
2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110033508
4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide
CID 120564052
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide
CID 111975101
N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71858625
N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine
CID 133347958
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111975583
1-[2-(4-methoxyphenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110913986

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide (CID 111975103) is 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide is C/N=C(\NC)NCCCc1cc2c(OC)cc(OC)cc2[nH]1.I.
What is the InChIKey of 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide?
The InChIKey is XWEBDNNMDDTFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.HI/c1-17-16(18-2)19-7-5-6-11-8-13-14(20-11)9-12(21-3)10-15(13)22-4;/h8-10,20H,5-7H2,1-4H3,(H2,17,18,19);1H.
What are the key properties of 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide?
1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide has a molecular weight of 432.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 111975103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).