1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine

C18H26N2 — CID 79721711

IUPAC1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1)CCC2N1CC2(CCCCCC2)C1
InChIInChI=1S/C18H26N2/c19-15-6-7-16-14(11-15)5-8-17(16)20-12-18(13-20)9-3-1-2-4-10-18/h6-7,11,17H,1-5,8-10,12-13,19H2
InChIKeyJBXNZCSRKZIXSS-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.91
Rot. Bonds1

About 1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine

1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 79721711) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine
PubChem CID79721711
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1)CCC2N1CC2(CCCCCC2)C1
InChIInChI=1S/C18H26N2/c19-15-6-7-16-14(11-15)5-8-17(16)20-12-18(13-20)9-3-1-2-4-10-18/h6-7,11,17H,1-5,8-10,12-13,19H2
InChIKeyJBXNZCSRKZIXSS-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-azaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79746635
5-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 116650618
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79721838
1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79742082
1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine
CID 79741185
7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
CID 58438485
4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one
CID 102887555
1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 103541608
1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79741362
1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one
CID 79741363
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 82751547
2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane
CID 102849461

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine (CID 79721711) is 1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine is Nc1ccc2c(c1)CCC2N1CC2(CCCCCC2)C1.
What is the InChIKey of 1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is JBXNZCSRKZIXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c19-15-6-7-16-14(11-15)5-8-17(16)20-12-18(13-20)9-3-1-2-4-10-18/h6-7,11,17H,1-5,8-10,12-13,19H2.
What are the key properties of 1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine?
1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 270.42 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 79721711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).