(15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine

C22H19N — CID 145340322

IUPAC(15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine
SMILESN/C1=C/Cc2ccccc2-c2ccccc2Cc2ccccc21
InChIInChI=1S/C22H19N/c23-22-14-13-16-7-1-4-10-19(16)20-11-5-2-8-17(20)15-18-9-3-6-12-21(18)22/h1-12,14H,13,15,23H2/b22-14+
InChIKeyUWKMEEGIFUQRRO-HYARGMPZSA-N
MW297.40 g/mol
LogP4.80
Rot. Bonds

About (15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine

(15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine (PubChem CID 145340322) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is (15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine.

Molecular Properties

Compound Name(15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine
PubChem CID145340322
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name(15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine
SMILESN/C1=C/Cc2ccccc2-c2ccccc2Cc2ccccc21
InChIInChI=1S/C22H19N/c23-22-14-13-16-7-1-4-10-19(16)20-11-5-2-8-17(20)15-18-9-3-6-12-21(18)22/h1-12,14H,13,15,23H2/b22-14+
InChIKeyUWKMEEGIFUQRRO-HYARGMPZSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine?
The IUPAC name of (15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine (CID 145340322) is (15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine.
What is the SMILES notation for (15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine?
The canonical SMILES for (15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine is N/C1=C/Cc2ccccc2-c2ccccc2Cc2ccccc21.
What is the InChIKey of (15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine?
The InChIKey is UWKMEEGIFUQRRO-HYARGMPZSA-N. The full InChI is InChI=1S/C22H19N/c23-22-14-13-16-7-1-4-10-19(16)20-11-5-2-8-17(20)15-18-9-3-6-12-21(18)22/h1-12,14H,13,15,23H2/b22-14+.
What are the key properties of (15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine?
(15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine has a molecular weight of 297.40 g/mol, XLogP of 4.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine is sourced from PubChem (CID 145340322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).