1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide

C17H27IN4 — CID 111067803

IUPAC1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide
SMILESCC(C/N=C(\N)NCC1CCC1)N1CCc2ccccc21.I
InChIInChI=1S/C17H26N4.HI/c1-13(11-19-17(18)20-12-14-5-4-6-14)21-10-9-15-7-2-3-8-16(15)21;/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H3,18,19,20);1H
InChIKeyDHESMTBSSSSCJR-UHFFFAOYSA-N
MW414.34 g/mol
LogP2.76
Rot. Bonds5

About 1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide

1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide (PubChem CID 111067803) has the molecular formula C17H27IN4 and a molecular weight of 414.34 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide
PubChem CID111067803
Molecular FormulaC17H27IN4
Molecular Weight414.34 g/mol
Exact Mass414.13
IUPAC Name1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide
SMILESCC(C/N=C(\N)NCC1CCC1)N1CCc2ccccc21.I
InChIInChI=1S/C17H26N4.HI/c1-13(11-19-17(18)20-12-14-5-4-6-14)21-10-9-15-7-2-3-8-16(15)21;/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H3,18,19,20);1H
InChIKeyDHESMTBSSSSCJR-UHFFFAOYSA-N
XLogP2.76
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
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

2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine
CID 111067766
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111067792
1-(3-chloro-4-methoxyphenyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide
CID 111067811
1-(cyclobutylmethyl)-2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111029013
1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111056450
1-(3-chloro-4-methoxyphenyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine
CID 111067812
1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine
CID 111069108
N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide
CID 111067772
2-[2-(2-chlorophenoxy)propyl]-1-(cyclobutylmethyl)guanidine
CID 111821490
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234652
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111801107
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111343888

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide (CID 111067803) is 1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide is CC(C/N=C(\N)NCC1CCC1)N1CCc2ccccc21.I.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide?
The InChIKey is DHESMTBSSSSCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4.HI/c1-13(11-19-17(18)20-12-14-5-4-6-14)21-10-9-15-7-2-3-8-16(15)21;/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H3,18,19,20);1H.
What are the key properties of 1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide?
1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 414.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111067803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).