1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine

C16H26N4O — CID 111088821

IUPAC1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine
SMILESCOCC(C)N/C(N)=N/CCN1c2ccccc2CC1C
InChIInChI=1S/C16H26N4O/c1-12(11-21-3)19-16(17)18-8-9-20-13(2)10-14-6-4-5-7-15(14)20/h4-7,12-13H,8-11H2,1-3H3,(H3,17,18,19)
InChIKeyYFZZUSVMNHMGIX-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.38
Rot. Bonds6

About 1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine

1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine (PubChem CID 111088821) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine
PubChem CID111088821
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine
SMILESCOCC(C)N/C(N)=N/CCN1c2ccccc2CC1C
InChIInChI=1S/C16H26N4O/c1-12(11-21-3)19-16(17)18-8-9-20-13(2)10-14-6-4-5-7-15(14)20/h4-7,12-13H,8-11H2,1-3H3,(H3,17,18,19)
InChIKeyYFZZUSVMNHMGIX-UHFFFAOYSA-N
XLogP1.38
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 110917258
1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111088779
2-butyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 111088770
N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]morpholine-4-carboximidamide
CID 111088775
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine
CID 111088815
1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111088791
N-(cyclopropylmethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 60866414
1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine
CID 111031315
N-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide
CID 110955650
2-(2-ethoxyethyl)-1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine
CID 111896095
2-[2-(2-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111044414
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 111407100

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine (CID 111088821) is 1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine is COCC(C)N/C(N)=N/CCN1c2ccccc2CC1C.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine?
The InChIKey is YFZZUSVMNHMGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(11-21-3)19-16(17)18-8-9-20-13(2)10-14-6-4-5-7-15(14)20/h4-7,12-13H,8-11H2,1-3H3,(H3,17,18,19).
What are the key properties of 1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine?
1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine has a molecular weight of 290.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine is sourced from PubChem (CID 111088821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).