1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine

C25H26N2 — CID 151384354

IUPAC1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine
SMILESNC1=Cc2ccccc2C1C1CC2CC(C3C(N)=Cc4ccccc43)C1C2
InChIInChI=1S/C25H26N2/c26-22-12-15-5-1-3-7-17(15)24(22)20-10-14-9-19(20)21(11-14)25-18-8-4-2-6-16(18)13-23(25)27/h1-8,12-14,19-21,24-25H,9-11,26-27H2
InChIKeyOTBXFIVQIHNWML-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.84
Rot. Bonds2

About 1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine

1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine (PubChem CID 151384354) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine.

Molecular Properties

Compound Name1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine
PubChem CID151384354
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine
SMILESNC1=Cc2ccccc2C1C1CC2CC(C3C(N)=Cc4ccccc43)C1C2
InChIInChI=1S/C25H26N2/c26-22-12-15-5-1-3-7-17(15)24(22)20-10-14-9-19(20)21(11-14)25-18-8-4-2-6-16(18)13-23(25)27/h1-8,12-14,19-21,24-25H,9-11,26-27H2
InChIKeyOTBXFIVQIHNWML-UHFFFAOYSA-N
XLogP4.84
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine with MolForge

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Related Compounds

2-methoxy-1-[2-(2-methoxy-1H-inden-1-yl)phenyl]-1H-indene
CID 151729793
2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride
CID 160521907
(2-amino-1H-inden-1-yl)-dimethyl-(methylaminooxy)azanium
CID 163706734
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
(15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene
CID 95564439
heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3,5,7,11,13,15,19,21,23-nonaene
CID 101073246
1H-phenalene-1,2-diamine;dihydrochloride
CID 174160144
9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene
CID 177218837
4,4a-dihydro-1H-fluoren-4-ylmethanol
CID 174985720
1-cyclohexyl-2-ethyl-1H-indene
CID 173422098
2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride
CID 160917637
heptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-3,5,7,9,11,13,18,20,22,24,26,28-dodecaene
CID 20588402

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine?
The IUPAC name of 1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine (CID 151384354) is 1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine.
What is the SMILES notation for 1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine?
The canonical SMILES for 1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine is NC1=Cc2ccccc2C1C1CC2CC(C3C(N)=Cc4ccccc43)C1C2.
What is the InChIKey of 1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine?
The InChIKey is OTBXFIVQIHNWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c26-22-12-15-5-1-3-7-17(15)24(22)20-10-14-9-19(20)21(11-14)25-18-8-4-2-6-16(18)13-23(25)27/h1-8,12-14,19-21,24-25H,9-11,26-27H2.
What are the key properties of 1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine?
1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine has a molecular weight of 354.50 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-amino-1H-inden-1-yl)-2-bicyclo[2.2.1]heptanyl]-1H-inden-2-amine is sourced from PubChem (CID 151384354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).