2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride

C18H27Cl2N3 — CID 171687135

IUPAC2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
SMILESCc1[nH]c2ccccc2c1CN1CCC2(CCNCC2)C1.Cl.Cl
InChIInChI=1S/C18H25N3.2ClH/c1-14-16(15-4-2-3-5-17(15)20-14)12-21-11-8-18(13-21)6-9-19-10-7-18;;/h2-5,19-20H,6-13H2,1H3;2*1H
InChIKeyPSGJOJQIZPGOEG-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.90
Rot. Bonds2

About 2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride

2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride (PubChem CID 171687135) has the molecular formula C18H27Cl2N3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride.

Molecular Properties

Compound Name2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
PubChem CID171687135
Molecular FormulaC18H27Cl2N3
Molecular Weight356.34 g/mol
Exact Mass355.16
IUPAC Name2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
SMILESCc1[nH]c2ccccc2c1CN1CCC2(CCNCC2)C1.Cl.Cl
InChIInChI=1S/C18H25N3.2ClH/c1-14-16(15-4-2-3-5-17(15)20-14)12-21-11-8-18(13-21)6-9-19-10-7-18;;/h2-5,19-20H,6-13H2,1H3;2*1H
InChIKeyPSGJOJQIZPGOEG-UHFFFAOYSA-N
XLogP3.90
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906699
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907098
2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82279050
2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906566
2-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906708
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907099
8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 15071480
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907296
2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154891864
2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906461
ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate
CID 42567257

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride?
The IUPAC name of 2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride (CID 171687135) is 2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride.
What is the SMILES notation for 2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride?
The canonical SMILES for 2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride is Cc1[nH]c2ccccc2c1CN1CCC2(CCNCC2)C1.Cl.Cl.
What is the InChIKey of 2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride?
The InChIKey is PSGJOJQIZPGOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3.2ClH/c1-14-16(15-4-2-3-5-17(15)20-14)12-21-11-8-18(13-21)6-9-19-10-7-18;;/h2-5,19-20H,6-13H2,1H3;2*1H.
What are the key properties of 2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride?
2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride has a molecular weight of 356.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride is sourced from PubChem (CID 171687135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).