N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine

C26H27N — CID 56661208

IUPACN-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine
SMILESCC(Cc1ccccc1)NC1CC2c3ccccc3CCc3cccc1c32
InChIInChI=1S/C26H27N/c1-18(16-19-8-3-2-4-9-19)27-25-17-24-22-12-6-5-10-20(22)14-15-21-11-7-13-23(25)26(21)24/h2-13,18,24-25,27H,14-17H2,1H3
InChIKeyDNSDIYWJKBRJKP-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.58
Rot. Bonds4

About N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine

N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine (PubChem CID 56661208) has the molecular formula C26H27N and a molecular weight of 353.51 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine
PubChem CID56661208
Molecular FormulaC26H27N
Molecular Weight353.51 g/mol
Exact Mass353.21
IUPAC NameN-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine
SMILESCC(Cc1ccccc1)NC1CC2c3ccccc3CCc3cccc1c32
InChIInChI=1S/C26H27N/c1-18(16-19-8-3-2-4-9-19)27-25-17-24-22-12-6-5-10-20(22)14-15-21-11-7-13-23(25)26(21)24/h2-13,18,24-25,27H,14-17H2,1H3
InChIKeyDNSDIYWJKBRJKP-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine with MolForge

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Related Compounds

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(4aS,5R,9bS)-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
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CID 44825837
N-methyl-3-phenyl-indan-1-amine;hydrochloride
CID 45260274
N-(1-phenylethyl)-9H-fluoren-9-amine
CID 4782290
Jmf9RU2blc
CID 57426056
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-phenyl-, (4a-alpha,5-beta,9b-alpha)-
CID 38055
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(2-fluorophenyl)-, (4a-alpha,5-beta,9b-alpha)-
CID 44358171
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(4-fluorophenyl)-, (4a-alpha,5-beta,9b-alpha)-
CID 44358186

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine?
The IUPAC name of N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine (CID 56661208) is N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine.
What is the SMILES notation for N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine?
The canonical SMILES for N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine is CC(Cc1ccccc1)NC1CC2c3ccccc3CCc3cccc1c32.
What is the InChIKey of N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine?
The InChIKey is DNSDIYWJKBRJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N/c1-18(16-19-8-3-2-4-9-19)27-25-17-24-22-12-6-5-10-20(22)14-15-21-11-7-13-23(25)26(21)24/h2-13,18,24-25,27H,14-17H2,1H3.
What are the key properties of N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine?
N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine has a molecular weight of 353.51 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine is sourced from PubChem (CID 56661208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).