2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine

C17H28N4 — CID 111067766

IUPAC2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CC(C)N1CCc2ccccc21
InChIInChI=1S/C17H28N4/c1-13(2)8-10-19-17(18)20-12-14(3)21-11-9-15-6-4-5-7-16(15)21/h4-7,13-14H,8-12H2,1-3H3,(H3,18,19,20)
InChIKeyGANWSIQRHSIANQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.39
Rot. Bonds6

About 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine

2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine (PubChem CID 111067766) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine
PubChem CID111067766
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CC(C)N1CCc2ccccc21
InChIInChI=1S/C17H28N4/c1-13(2)8-10-19-17(18)20-12-14(3)21-11-9-15-6-4-5-7-16(15)21/h4-7,13-14H,8-12H2,1-3H3,(H3,18,19,20)
InChIKeyGANWSIQRHSIANQ-UHFFFAOYSA-N
XLogP2.39
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.39
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'}

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Related Compounds

2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111067792
1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide
CID 111067803
N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide
CID 111067772
1-(3-chloro-4-methoxyphenyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine
CID 111067812
1-(3-chloro-4-methoxyphenyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide
CID 111067811
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111343888
N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide
CID 120661302
1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030275
N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine
CID 62557981
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234652
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110971973
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504884

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine (CID 111067766) is 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine is CC(C)CCN/C(N)=N/CC(C)N1CCc2ccccc21.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine?
The InChIKey is GANWSIQRHSIANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13(2)8-10-19-17(18)20-12-14(3)21-11-9-15-6-4-5-7-16(15)21/h4-7,13-14H,8-12H2,1-3H3,(H3,18,19,20).
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine?
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine has a molecular weight of 288.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine is sourced from PubChem (CID 111067766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).