1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine

C20H32N4 — CID 111057548

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine
SMILESCC1CC(C)CN(CCC/N=C(\N)Nc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C20H32N4/c1-15-11-16(2)14-24(13-15)10-4-9-22-20(21)23-19-8-7-17-5-3-6-18(17)12-19/h7-8,12,15-16H,3-6,9-11,13-14H2,1-2H3,(H3,21,22,23)
InChIKeyYYHMXWRRLYULKV-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.27
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine

1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine (PubChem CID 111057548) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine
PubChem CID111057548
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine
SMILESCC1CC(C)CN(CCC/N=C(\N)Nc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C20H32N4/c1-15-11-16(2)14-24(13-15)10-4-9-22-20(21)23-19-8-7-17-5-3-6-18(17)12-19/h7-8,12,15-16H,3-6,9-11,13-14H2,1-2H3,(H3,21,22,23)
InChIKeyYYHMXWRRLYULKV-UHFFFAOYSA-N
XLogP3.27
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine;hydroiodide
CID 111040726
2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(4-methylphenyl)guanidine
CID 111057526
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771735
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771738
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111057218
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111816505
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(methanesulfonamido)propyl]guanidine;hydroiodide
CID 111063702
2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111814632
2-(3-butoxypropyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111025834
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111035824
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-[ethylsulfonyl(methyl)amino]propyl]guanidine
CID 111066403
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-hydroxyethoxy)propyl]guanidine
CID 110018612

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine (CID 111057548) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine is CC1CC(C)CN(CCC/N=C(\N)Nc2ccc3c(c2)CCC3)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine?
The InChIKey is YYHMXWRRLYULKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4/c1-15-11-16(2)14-24(13-15)10-4-9-22-20(21)23-19-8-7-17-5-3-6-18(17)12-19/h7-8,12,15-16H,3-6,9-11,13-14H2,1-2H3,(H3,21,22,23).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine?
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine has a molecular weight of 328.50 g/mol, XLogP of 3.27, 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-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111057548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).