1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine

C18H28N4 — CID 111055135

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine
SMILESCCC(C/N=C(\N)Nc1ccc2c(c1)CCC2)N1CCCC1
InChIInChI=1S/C18H28N4/c1-2-17(22-10-3-4-11-22)13-20-18(19)21-16-9-8-14-6-5-7-15(14)12-16/h8-9,12,17H,2-7,10-11,13H2,1H3,(H3,19,20,21)
InChIKeyIRDOAIXAYZWWGN-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.78
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine

1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine (PubChem CID 111055135) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine
PubChem CID111055135
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine
SMILESCCC(C/N=C(\N)Nc1ccc2c(c1)CCC2)N1CCCC1
InChIInChI=1S/C18H28N4/c1-2-17(22-10-3-4-11-22)13-20-18(19)21-16-9-8-14-6-5-7-15(14)12-16/h8-9,12,17H,2-7,10-11,13H2,1H3,(H3,19,20,21)
InChIKeyIRDOAIXAYZWWGN-UHFFFAOYSA-N
XLogP2.78
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.78
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

1-(3,4-dimethoxyphenyl)-2-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111055123
1-(3,5-dimethylphenyl)-2-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111055095
1-(3-ethylphenyl)-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111055120
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111074690
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110032395
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111086053
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111057218
2-(2-pyrrolidin-1-ylbutyl)-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111055118
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine
CID 111070652
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111061776
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine
CID 111026228
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111056448

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine (CID 111055135) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine is CCC(C/N=C(\N)Nc1ccc2c(c1)CCC2)N1CCCC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine?
The InChIKey is IRDOAIXAYZWWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-2-17(22-10-3-4-11-22)13-20-18(19)21-16-9-8-14-6-5-7-15(14)12-16/h8-9,12,17H,2-7,10-11,13H2,1H3,(H3,19,20,21).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine?
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine has a molecular weight of 300.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine is sourced from PubChem (CID 111055135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).