(8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine

C17H21N — CID 73347790

IUPAC(8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine
SMILESN[C@H]1c2ccccc2C23CC4CC(CC(C4)[C@H]12)C3
InChIInChI=1S/C17H21N/c18-16-13-3-1-2-4-14(13)17-8-10-5-11(9-17)7-12(6-10)15(16)17/h1-4,10-12,15-16H,5-9,18H2/t10?,11?,12?,15-,16+,17?/m1/s1
InChIKeyUDRRGNBPEKCWCW-KKXFYESVSA-N
MW239.36 g/mol
LogP3.39
Rot. Bonds

About (8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine

(8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine (PubChem CID 73347790) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine.

Molecular Properties

Compound Name(8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine
PubChem CID73347790
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine
SMILESN[C@H]1c2ccccc2C23CC4CC(CC(C4)[C@H]12)C3
InChIInChI=1S/C17H21N/c18-16-13-3-1-2-4-14(13)17-8-10-5-11(9-17)7-12(6-10)15(16)17/h1-4,10-12,15-16H,5-9,18H2/t10?,11?,12?,15-,16+,17?/m1/s1
InChIKeyUDRRGNBPEKCWCW-KKXFYESVSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine?
The IUPAC name of (8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine (CID 73347790) is (8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine.
What is the SMILES notation for (8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine?
The canonical SMILES for (8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine is N[C@H]1c2ccccc2C23CC4CC(CC(C4)[C@H]12)C3.
What is the InChIKey of (8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine?
The InChIKey is UDRRGNBPEKCWCW-KKXFYESVSA-N. The full InChI is InChI=1S/C17H21N/c18-16-13-3-1-2-4-14(13)17-8-10-5-11(9-17)7-12(6-10)15(16)17/h1-4,10-12,15-16H,5-9,18H2/t10?,11?,12?,15-,16+,17?/m1/s1.
What are the key properties of (8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine?
(8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine has a molecular weight of 239.36 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S)-pentacyclo[10.3.1.110,14.01,9.02,7]heptadeca-2,4,6-trien-8-amine is sourced from PubChem (CID 73347790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).