1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine

C16H23N3 — CID 79725122

IUPAC1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NC1CN2CCC1CC2
InChIInChI=1S/C16H23N3/c17-13-2-3-14-12(9-13)1-4-15(14)18-16-10-19-7-5-11(16)6-8-19/h2-3,9,11,15-16,18H,1,4-8,10,17H2
InChIKeyBYOQOBSAXYURNM-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.94
Rot. Bonds2

About 1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79725122) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79725122
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NC1CN2CCC1CC2
InChIInChI=1S/C16H23N3/c17-13-2-3-14-12(9-13)1-4-15(14)18-16-10-19-7-5-11(16)6-8-19/h2-3,9,11,15-16,18H,1,4-8,10,17H2
InChIKeyBYOQOBSAXYURNM-UHFFFAOYSA-N
XLogP1.94
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741514
1-[4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]piperidin-1-yl]ethanone
CID 79730766
1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724206
5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one
CID 79742063
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 62841752
1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 83009052
4-(1-azabicyclo[2.2.2]octan-3-yl)benzene-1,3-diamine
CID 69198367
N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide
CID 130920984
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 107619042
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide
CID 79741197
1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114515233

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79725122) is 1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2NC1CN2CCC1CC2.
What is the InChIKey of 1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is BYOQOBSAXYURNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c17-13-2-3-14-12(9-13)1-4-15(14)18-16-10-19-7-5-11(16)6-8-19/h2-3,9,11,15-16,18H,1,4-8,10,17H2.
What are the key properties of 1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 257.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79725122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).