N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine

C18H19N — CID 60815385

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCC1Cc3ccccc31)C2
InChIInChI=1S/C18H19N/c1-2-6-14-11-17(10-13(14)5-1)19-12-16-9-15-7-3-4-8-18(15)16/h1-8,16-17,19H,9-12H2
InChIKeyHTRCAOICDYSCHX-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.08
Rot. Bonds3

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 60815385) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID60815385
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCC1Cc3ccccc31)C2
InChIInChI=1S/C18H19N/c1-2-6-14-11-17(10-13(14)5-1)19-12-16-9-15-7-3-4-8-18(15)16/h1-8,16-17,19H,9-12H2
InChIKeyHTRCAOICDYSCHX-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine with MolForge

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 81337822
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine
CID 60815828
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64752201
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine
CID 64623153
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine
CID 66418322
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60816945
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,1-dioxothiolan-3-amine
CID 60816010
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine
CID 65081954
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-methylazepan-4-amine
CID 65070385
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-chlorophenyl)cyclobutan-1-amine
CID 60816001
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 75427921
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,2-difluoroethanamine
CID 66396572

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine (CID 60815385) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine is c1ccc2c(c1)CC(NCC1Cc3ccccc31)C2.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is HTRCAOICDYSCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-2-6-14-11-17(10-13(14)5-1)19-12-16-9-15-7-3-4-8-18(15)16/h1-8,16-17,19H,9-12H2.
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 249.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 60815385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).